N-(2,3-dimethylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O2S/c1-16-11-13-19(14-12-16)28-24(30)20-8-4-5-9-22(20)27-25(28)31-15-23(29)26-21-10-6-7-17(2)18(21)3/h4-5,8-9,11-14,17-18,21H,6-7,10,15H2,1-3H3,(H,26,29)