4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(2-chloroanilino)-2-oxo-ethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(2-chloroanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(2-chloroanilino)-2-keto-ethyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN4O2S/c1-29-19-10-5-4-9-18(19)24-21(28)26-12-6-11-25(13-14-26)15-20(27)23-17-8-3-2-7-16(17)22/h2-5,7-10H,6,11-15H2,1H3,(H,23,27)(H,24,28)