N-(2-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-methylcyclohexyl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-methylcyclohexyl)-2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methylcyclohexyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-(2-methylcyclohexyl)propionamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O2S/c1-16-12-14-19(15-13-16)28-24(30)20-9-5-7-11-22(20)27-25(28)31-18(3)23(29)26-21-10-6-4-8-17(21)2/h5,7,9,11-15,17-18,21H,4,6,8,10H2,1-3H3,(H,26,29)