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

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(4-quinazolinylthio)propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: (2S)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-(quinazolin-4-ylthio)propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@H](C)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H22N4O2S/c1-14-8-10-16(11-9-14)24-19(26)12-25(3)21(27)15(2)28-20-17-6-4-5-7-18(17)22-13-23-20/h4-11,13,15H,12H2,1-3H3,(H,24,26)/t15-/m0/s1