N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-4-methyl-cyclohexyl)-N-methyl-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-4-methyl-cyclohexyl)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

Isomeric SMILES

CC1CCC(CC1)(C#N)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

InChI

InChI=1S/C26H28N4O2S/c1-18-12-14-26(17-27,15-13-18)29(3)23(31)16-33-25-28-21-10-6-5-9-20(21)24(32)30(25)22-11-7-4-8-19(22)2/h4-11,18H,12-16H2,1-3H3