2-[4-[3-(4-chlorophenyl)sulfanylbutanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[3-(4-chlorophenyl)sulfanylbutanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[3-(4-chlorophenyl)sulfanylbutanoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[3-[(4-chlorophenyl)thio]-1-oxobutyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[3-(4-chlorophenyl)sulfanylbutanoyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[3-[(4-chlorophenyl)thio]butanoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)CC(=O)NC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O2S/c1-18(30-21-10-8-19(24)9-11-21)16-23(29)27-13-5-12-26(14-15-27)17-22(28)25-20-6-3-2-4-7-20/h2-4,6-11,18H,5,12-17H2,1H3,(H,25,28)