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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)C)C

InChI

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