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

Systemtic Name: 1-[6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[6-(4-pyridylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[6-(pyridin-4-ylmethylthio)-3-benzimidazolo[1,2-c]quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[6-(4-pyridylmethylthio)benzimidazolo[1,2-c]quinazoline-3-carbonyl]isonipecotamide Formula: C27H24N6O2S MolecularWeight: 496.58346

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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)SCC6=CC=NC=C6

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC=NC=C6

InChI

InChI=1S/C27H24N6O2S/c28-24(34)18-9-13-32(14-10-18)26(35)19-5-6-20-22(15-19)31-27(36-16-17-7-11-29-12-8-17)33-23-4-2-1-3-21(23)30-25(20)33/h1-8,11-12,15,18H,9-10,13-14,16H2,(H2,28,34)