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

Systemtic Name: 4-methyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-oxidanylidene-2-phenyl-quinazolin-3-yl)pentanamide Openeye Name: 4-methyl-N-(m-tolylcarbamothioyl)-2-(4-oxo-2-phenyl-quinazolin-3-yl)pentanamide CAS Name: 4-methyl-N-[(3-methylanilino)-sulfanylidenemethyl]-2-(4-oxo-2-phenyl-3-quinazolinyl)pentanamide IUPAC Name: 4-methyl-N-[(3-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)pentanamide Traditional Name: 2-(4-keto-2-phenyl-quinazolin-3-yl)-4-methyl-N-(m-tolylthiocarbamoyl)valeramide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2S/c1-18(2)16-24(26(33)31-28(35)29-21-13-9-10-19(3)17-21)32-25(20-11-5-4-6-12-20)30-23-15-8-7-14-22(23)27(32)34/h4-15,17-18,24H,16H2,1-3H3,(H2,29,31,33,35)