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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylthio)-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(cyanomethylsulfanyl)-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-(3-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=C4)Cl)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC#N

InChI

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