Basic information
- CAS
88351-74-0- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2cccc(NCn3c(=S)sc4ccccc43)c2)cc1- InChIKey
FACSESZSPKMHEI-UHFFFAOYSA-N- Molecular formula
- C24H21N3O3S2
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.10243389
Names & identifiers
- Preferred name
- Benzoic acid, 4-((4-(((2-thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)-, ethyl ester
- IUPAC
- ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate
Names & synonyms
BRN 4602007Benzoic acid, 4-((4-(((2-thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)-, ethyl ester88351-74-0DTXSID502369934-((4-(((2-Thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)benzoic acid ethyl esterRefChem:327326DTXCID80159484Ethyl 4-(3-{[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]amino}benzamido)benzoate
Database identifiers
- CAS
88351-74-0- PubChem CID
- 55795
- DTXSID
DTXSID50236993
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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