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

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H31N3O2S/c1-16-9-7-13-21(18(16)3)27-24(30)15-32-26-28-22-12-6-5-11-20(22)25(31)29(26)23-14-8-10-17(2)19(23)4/h5-6,8,10-12,14,16,18,21H,7,9,13,15H2,1-4H3,(H,27,30)