3-methyl-N-[(4-methylphenyl)carbamothioyl]-2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)butanamide

Systemtic Name: 3-methyl-N-[(4-methylphenyl)carbamothioyl]-2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)butanamide Openeye Name: 3-methyl-2-(4-oxo-2-phenyl-quinazolin-3-yl)-N-(p-tolylcarbamothioyl)butanamide CAS Name: 3-methyl-N-[(4-methylanilino)-sulfanylidenemethyl]-2-(4-oxo-2-phenyl-3-quinazolinyl)butanamide IUPAC Name: 3-methyl-N-[(4-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)butanamide Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)-3-methyl-N-(p-tolylthiocarbamoyl)butyramide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(=O)C(C(C)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC(=O)C(C(C)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O2S/c1-17(2)23(25(32)30-27(34)28-20-15-13-18(3)14-16-20)31-24(19-9-5-4-6-10-19)29-22-12-8-7-11-21(22)26(31)33/h4-17,23H,1-3H3,(H2,28,30,32,34)