3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)carbonylbenzimidazolo[1,2-c]quinazoline-6-thiolate

Systemtic Name: 3-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)carbonylbenzimidazolo[1,2-c]quinazoline-6-thiolate Openeye Name: 3-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidine-1-carbonyl)benzimidazolo[1,2-c]quinazoline-6-thiolate CAS Name: 3-[[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-oxomethyl]-6-benzimidazolo[1,2-c]quinazolinethiolate IUPAC Name: 3-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)benzimidazolo[1,2-c]quinazoline-6-thiolate Traditional Name: 3-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidine-1-carbonyl)benzimidazolo[1,2-c]quinazoline-6-thiolate Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=N4)[S-])C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=N4)[S-])C(=O)N

InChI

InChI=1S/C26H28N6O2S/c27-24(34)26(31-12-4-1-5-13-31)10-14-30(15-11-26)23(33)17-8-9-18-20(16-17)29-25(35)32-21-7-3-2-6-19(21)28-22(18)32/h2-3,6-9,16H,1,4-5,10-15H2,(H2,27,34)(H,29,35)