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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C(CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C(CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

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