N-(2,3-dimethylcyclohexyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2,3-dimethylcyclohexyl)acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H27N3O2S/c1-4-12-24-20(26)16-9-5-6-10-18(16)23-21(24)27-13-19(25)22-17-11-7-8-14(2)15(17)3/h4-6,9-10,14-15,17H,1,7-8,11-13H2,2-3H3,(H,22,25)