N-(2-chlorophenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]acetamide Formula: C22H28ClN3OS MolecularWeight: 417.99522

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3OS/c1-2-28-19-10-8-18(9-11-19)16-25-12-5-13-26(15-14-25)17-22(27)24-21-7-4-3-6-20(21)23/h3-4,6-11H,2,5,12-17H2,1H3,(H,24,27)