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

Systemtic Name: 1-[6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazolin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[6-[(3-nitrophenyl)methylthio]-3-benzimidazolo[1,2-c]quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[6-[(3-nitrobenzyl)thio]benzimidazolo[1,2-c]quinazoline-3-carbonyl]isonipecotamide Formula: C28H24N6O4S MolecularWeight: 540.59296

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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(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H24N6O4S/c29-25(35)18-10-12-32(13-11-18)27(36)19-8-9-21-23(15-19)31-28(33-24-7-2-1-6-22(24)30-26(21)33)39-16-17-4-3-5-20(14-17)34(37)38/h1-9,14-15,18H,10-13,16H2,(H2,29,35)