N-(2,3-dimethylcyclohexyl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]acetamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)COC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)COC

InChI

InChI=1S/C22H31N3O3S/c1-14-8-7-11-18(16(14)3)23-20(26)13-29-22-24-19-10-6-5-9-17(19)21(27)25(22)15(2)12-28-4/h5-6,9-10,14-16,18H,7-8,11-13H2,1-4H3,(H,23,26)