2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c26-14-16-32-25-28-22-17-19(23(30)27-20-9-5-2-6-10-20)11-12-21(22)24(31)29(25)15-13-18-7-3-1-4-8-18/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13,15-16H2,(H,27,30)