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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCCC4)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4(CCCCC4)C#N)C

InChI

InChI=1S/C25H26N4O2S/c1-17-10-11-19(14-18(17)2)29-23(31)20-8-4-5-9-21(20)27-24(29)32-15-22(30)28-25(16-26)12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,28,30)