N-(4-methylphenyl)-2-[1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzyl-1,4-diazepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[1-oxo-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]thio]acetamide IUPAC Name: 2-[1-(4-benzyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-1-methyl-ethyl]thio]-N-(p-tolyl)acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-19-9-11-22(12-10-19)25-23(28)18-30-20(2)24(29)27-14-6-13-26(15-16-27)17-21-7-4-3-5-8-21/h3-5,7-12,20H,6,13-18H2,1-2H3,(H,25,28)