(2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(2-methyl-4-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-2-[(2-methylquinazolin-4-yl)thio]propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-14-9-11-17(12-10-14)25-20(27)13-26(4)22(28)15(2)29-21-18-7-5-6-8-19(18)23-16(3)24-21/h5-12,15H,13H2,1-4H3,(H,25,27)/t15-/m0/s1