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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylthio)-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-2-(cyanomethylthio)-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C24H23ClN4O2S MolecularWeight: 466.98302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC#N

InChI

InChI=1S/C24H23ClN4O2S/c25-20-9-5-4-6-17(20)15-27-22(30)16-10-11-19-21(14-16)28-24(32-13-12-26)29(23(19)31)18-7-2-1-3-8-18/h4-6,9-11,14,18H,1-3,7-8,13,15H2,(H,27,30)