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

Systemtic Name: N-(3-chlorophenyl)-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-2-(cyanomethylthio)-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-2-(cyanomethylthio)-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC#N

InChI

InChI=1S/C23H21ClN4O2S/c24-16-5-4-6-17(14-16)26-21(29)15-9-10-19-20(13-15)27-23(31-12-11-25)28(22(19)30)18-7-2-1-3-8-18/h4-6,9-10,13-14,18H,1-3,7-8,12H2,(H,26,29)