2,4-dimethyl-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide
Basic information
- CAS
761409-69-2- Standard SMILES
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)c(C)c1- InChIKey
YXXIHDPWNICLEU-UHFFFAOYSA-N- Molecular formula
- C25H26N4O2S2
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.14971843
Names & identifiers
- Preferred name
- 2,4-dimethyl-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide
- IUPAC
- 2,4-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
Names & synonyms
761409-69-2ZINC23970822,4-dimethyl-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide2,4-Dimethyl-N-[[[4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl]amino]thioxomethyl]benzamide2,4-dimethyl-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide2,4-dimethyl-N-((4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide2,4-Dimethyl-N-({4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}carbamothioyl)benzamideDTXSID901119651MFCD04011862STK386111ZINC02397082AKOS000448966
Show more names
ZINC000002397082AP-970/4225132824DIMETHYLN((4(4(THIOPHEN2YLCARBONYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)BENZAMIDE24DIMETHYLN((4(4(THIOPHENE2CARBONYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)BENZAMIDECC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CN(24DIMETHYLBENZOYL)N(4(4(2THIENYLCARBONYL)1PIPERAZINYL)PHENYL)THIOUREAN-(2,4-dimethylbenzoyl)-N'-{4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}thiourea
Database identifiers
- CAS
761409-69-2
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 705
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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