Basic information
- CAS
347355-85-5- Standard SMILES
Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1- InChIKey
NABDEIYGHUFNNV-UHFFFAOYSA-N- Molecular formula
- C19H19ClN4O4S
- Average molar mass
- 434.9 g/mol
- Monoisotopic mass
- 434.081554
Names & identifiers
- Preferred name
- 4-Chloro-N-[[[2-methyl-5-(4-morpholinyl)-4-nitrophenyl]amino]thioxomethyl]benzamide
- IUPAC
- 4-chloro-N-[(2-methyl-5-morpholin-4-yl-4-nitrophenyl)carbamothioyl]benzamide
Names & synonyms
347355-85-54-Chloro-N-[[[2-methyl-5-(4-morpholinyl)-4-nitrophenyl]amino]thioxomethyl]benzamide4-Chloro-N-(((2-methyl-5-(4-morpholinyl)-4-nitrophenyl)amino)thioxomethyl)benzamideRefChem:2919934-chloro-N-{[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]carbamothioyl}benzamide4-chloro-N-[(2-methyl-5-morpholin-4-yl-4-nitrophenyl)carbamothioyl]benzamideDTXSID901129864STK023173AKOS000442272ST029591AG-670/15543010SR-01000465937
Show more names
SR-01000465937-14-chloro-N-((2-methyl-5-morpholino-4-nitrophenyl)carbamothioyl)benzamideN-(4-chlorobenzoyl)-N'-[4-nitro-2-methyl-5-(4-morpholinyl)phenyl]thiourea(4-chlorophenyl)-N-{[(2-methyl-5-morpholin-4-yl-4-nitrophenyl)amino]thioxometh yl}carboxamide
Database identifiers
- CAS
347355-85-5- PubChem CID
- 2902014
- DTXSID
DTXSID901129864
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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