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

Systemtic Name: N-[(2-methylphenyl)carbamothioyl]-2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)propanamide Openeye Name: N-(o-tolylcarbamothioyl)-2-(4-oxo-2-phenyl-quinazolin-3-yl)propanamide CAS Name: N-[(2-methylanilino)-sulfanylidenemethyl]-2-(4-oxo-2-phenyl-3-quinazolinyl)propanamide IUPAC Name: N-[(2-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)propanamide Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)-N-(o-tolylthiocarbamoyl)propionamide Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C(C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C(C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S/c1-16-10-6-8-14-20(16)27-25(32)28-23(30)17(2)29-22(18-11-4-3-5-12-18)26-21-15-9-7-13-19(21)24(29)31/h3-15,17H,1-2H3,(H2,27,28,30,32)