(2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-(2-quinolylsulfanyl)propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-quinolinylthio)propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-quinolin-2-ylsulfanylpropanamide Traditional Name: (2S)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-(2-quinolylthio)propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H23N3O2S/c1-15-8-11-18(12-9-15)23-20(26)14-25(3)22(27)16(2)28-21-13-10-17-6-4-5-7-19(17)24-21/h4-13,16H,14H2,1-3H3,(H,23,26)/t16-/m0/s1