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

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

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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)N=C2SCC#N

Isomeric SMILES

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

InChI

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