N-[(2-chlorophenyl)methyl]-4-[[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-[[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]methyl]cyclohexane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-[[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-[[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC#N)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC#N)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H25ClN4O2S/c26-21-7-3-1-5-19(21)15-28-23(31)18-11-9-17(10-12-18)16-30-24(32)20-6-2-4-8-22(20)29-25(30)33-14-13-27/h1-8,17-18H,9-12,14-16H2,(H,28,31)