(2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-phenoxybutyl)propanamide

Systemtic Name: (2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-phenoxybutyl)propanamide Openeye Name: (2S)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(4-phenoxybutyl)propanamide CAS Name: (2S)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(4-phenoxybutyl)propanamide IUPAC Name: (2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(4-phenoxybutyl)propanamide Traditional Name: (2S)-2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(4-phenoxybutyl)propionamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NCCCCOC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@@H](C)C(=O)NCCCCOC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-17-10-12-19(13-11-17)24-21(25)16-28-18(2)22(26)23-14-6-7-15-27-20-8-4-3-5-9-20/h3-5,8-13,18H,6-7,14-16H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1