2-(2-methylphenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-(o-tolylsulfanyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-(o-tolylthio)acetamide Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCCCN2CCCCCC2=O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCCCN2CCCCCC2=O

InChI

InChI=1S/C18H26N2O2S/c1-15-8-4-5-9-16(15)23-14-17(21)19-11-7-13-20-12-6-2-3-10-18(20)22/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,19,21)