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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C(CC(C)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C(CC(C)C)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

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