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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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