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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S/c1-17-9-5-7-13-20(17)27-25(32)28-22(30)15-16-29-23(18-10-3-2-4-11-18)26-21-14-8-6-12-19(21)24(29)31/h2-14H,15-16H2,1H3,(H2,27,28,30,32)