N-(4-methylcyclohexyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylcyclohexyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methylcyclohexyl)acetamide CAS Name: N-(4-methylcyclohexyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methylcyclohexyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(4-methylcyclohexyl)acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H29N3O2S/c1-14(2)12-24-20(26)17-6-4-5-7-18(17)23-21(24)27-13-19(25)22-16-10-8-15(3)9-11-16/h4-7,14-16H,8-13H2,1-3H3,(H,22,25)