(2S)-N-(4-ethanoylphenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H19N3O3S/c1-12(24)14-8-10-15(11-9-14)21-18(25)13(2)27-20-22-17-7-5-4-6-16(17)19(26)23(20)3/h4-11,13H,1-3H3,(H,21,25)/t13-/m0/s1