N-[(1S,2R)-2-methylcyclohexyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide CAS Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1S,2R)-2-methylcyclohexyl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-[(1S,2R)-2-methylcyclohexyl]acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H29N3O2S/c1-14(2)12-24-20(26)16-9-5-7-11-18(16)23-21(24)27-13-19(25)22-17-10-6-4-8-15(17)3/h5,7,9,11,14-15,17H,4,6,8,10,12-13H2,1-3H3,(H,22,25)/t15-,17+/m1/s1