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

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-[[2-keto-2-(p-toluidino)ethyl]thio]acetamide Formula: C20H29N3O3S MolecularWeight: 391.52756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-16-7-9-17(10-8-16)22-19(25)15-27-14-18(24)21-11-5-13-23-12-4-2-3-6-20(23)26/h7-10H,2-6,11-15H2,1H3,(H,21,24)(H,22,25)