N-(3-methylsulfanylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-26-20-10-5-9-19(15-20)22-21(25)17-24-12-6-11-23(13-14-24)16-18-7-3-2-4-8-18/h2-5,7-10,15H,6,11-14,16-17H2,1H3,(H,22,25)