2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-N-[2-(1-cyclohexenyl)ethyl]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c28-15-18-34-27-30-24-19-22(25(32)29-16-13-20-7-3-1-4-8-20)11-12-23(24)26(33)31(27)17-14-21-9-5-2-6-10-21/h2,5-7,9-12,19H,1,3-4,8,13-14,16-18H2,(H,29,32)