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

Systemtic Name: 3-methyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)butanamide Openeye Name: 3-methyl-N-(m-tolylcarbamothioyl)-2-(4-oxo-2-phenyl-quinazolin-3-yl)butanamide CAS Name: 3-methyl-N-[(3-methylanilino)-sulfanylidenemethyl]-2-(4-oxo-2-phenyl-3-quinazolinyl)butanamide IUPAC Name: 3-methyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)butanamide Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)-3-methyl-N-(m-tolylthiocarbamoyl)butyramide Formula: C27H26N4O2S MolecularWeight: 470.58594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2S/c1-17(2)23(25(32)30-27(34)28-20-13-9-10-18(3)16-20)31-24(19-11-5-4-6-12-19)29-22-15-8-7-14-21(22)26(31)33/h4-17,23H,1-3H3,(H2,28,30,32,34)