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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-cyclohexyl-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-(cyanomethylsulfanyl)-N-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-(cyanomethylthio)-N-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2S/c25-13-14-31-24-27-21-15-18(22(29)26-19-9-5-2-6-10-19)11-12-20(21)23(30)28(24)16-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,14,16H2,(H,26,29)