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

Systemtic Name: 2-[4-[3-(4-chlorophenyl)sulfanylbutanoyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[3-(4-chlorophenyl)sulfanylbutanoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[3-[(4-chlorophenyl)thio]-1-oxobutyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[3-(4-chlorophenyl)sulfanylbutanoyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[3-[(4-chlorophenyl)thio]butanoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C25H32ClN3O2S MolecularWeight: 474.05848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)CC(=O)NCCC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H32ClN3O2S/c1-20(32-23-10-8-22(26)9-11-23)18-25(31)29-15-5-14-28(16-17-29)19-24(30)27-13-12-21-6-3-2-4-7-21/h2-4,6-11,20H,5,12-19H2,1H3,(H,27,30)