2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-3-cyclohexyl-N-(3,5-dimethylphenyl)-4-keto-quinazoline-7-carboxamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)C4CCCCC4)C

InChI

InChI=1S/C25H26N4O2S/c1-16-12-17(2)14-19(13-16)27-23(30)18-8-9-21-22(15-18)28-25(32-11-10-26)29(24(21)31)20-6-4-3-5-7-20/h8-9,12-15,20H,3-7,11H2,1-2H3,(H,27,30)