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

Systemtic Name: N-[(3-methylphenyl)carbamothioyl]-2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)-3-phenyl-propanamide Openeye Name: N-(m-tolylcarbamothioyl)-2-(4-oxo-2-phenyl-quinazolin-3-yl)-3-phenyl-propanamide CAS Name: N-[(3-methylanilino)-sulfanylidenemethyl]-2-(4-oxo-2-phenyl-3-quinazolinyl)-3-phenylpropanamide IUPAC Name: N-[(3-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)-3-phenylpropanamide Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)-N-(m-tolylthiocarbamoyl)-3-phenyl-propionamide Formula: C31H26N4O2S MolecularWeight: 518.62874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)C(CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)C(CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C31H26N4O2S/c1-21-11-10-16-24(19-21)32-31(38)34-29(36)27(20-22-12-4-2-5-13-22)35-28(23-14-6-3-7-15-23)33-26-18-9-8-17-25(26)30(35)37/h2-19,27H,20H2,1H3,(H2,32,34,36,38)