1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[6-(cyanomethylthio)-3-benzimidazolo[1,2-c]quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-(cyanomethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[6-(cyanomethylthio)benzimidazolo[1,2-c]quinazoline-3-carbonyl]isonipecotamide Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC#N

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC#N

InChI

InChI=1S/C23H20N6O2S/c24-9-12-32-23-27-18-13-15(22(31)28-10-7-14(8-11-28)20(25)30)5-6-16(18)21-26-17-3-1-2-4-19(17)29(21)23/h1-6,13-14H,7-8,10-12H2,(H2,25,30)