2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]propanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[3-(2-oxo-1-azepanyl)propyl]propanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]propionamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCCCN2CCCCCC2=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCCCN2CCCCCC2=O

InChI

InChI=1S/C21H31N3O3S/c1-16-8-10-18(11-9-16)23-19(25)15-28-17(2)21(27)22-12-6-14-24-13-5-3-4-7-20(24)26/h8-11,17H,3-7,12-15H2,1-2H3,(H,22,27)(H,23,25)