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

Systemtic Name: 4-[[2-(cyanomethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-(cyanomethylsulfanyl)-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-(cyanomethylthio)-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-(cyanomethylsulfanyl)-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-(cyanomethylthio)-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC#N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c27-15-17-33-26-29-23-9-5-4-8-22(23)25(32)30(26)18-20-10-12-21(13-11-20)24(31)28-16-14-19-6-2-1-3-7-19/h1-9,20-21H,10-14,16-18H2,(H,28,31)