4-[(4-acetamidophenyl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(4-acetamidophenyl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-acetamidophenyl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-acetamidophenyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-acetamidophenyl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-acetamidobenzyl)-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H28N4O2S/c1-17(27)23-19-10-8-18(9-11-19)16-25-12-5-13-26(15-14-25)22(28)24-20-6-3-4-7-21(20)29-2/h3-4,6-11H,5,12-16H2,1-2H3,(H,23,27)(H,24,28)