2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O2S/c1-14-7-6-8-15(11-14)18-16(20)12-22-13-17(21)19-9-4-2-3-5-10-19/h6-8,11H,2-5,9-10,12-13H2,1H3,(H,18,20)