N-carbamothioyl-1-[[3-(carbamothioylcarbamoyl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-carbamothioyl-1-[[3-(carbamothioylcarbamoyl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: N-carbamothioyl-1-[[3-(carbamothioylcarbamoyl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: N-carbamothioyl-1-[[3-[(carbamothioylamino)-oxomethyl]-1-pyridin-1-iumyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-carbamothioyl-1-[[3-(carbamothioylcarbamoyl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: N-thiocarbamoyl-1-[[3-(thiocarbamoylcarbamoyl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C15H16N6O2S2+2 MolecularWeight: 376.45654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C[N+]2=CC=CC(=C2)C(=O)NC(=S)N)C(=O)NC(=S)N

Isomeric SMILES

C1=CC(=C[N+](=C1)C[N+]2=CC=CC(=C2)C(=O)NC(=S)N)C(=O)NC(=S)N

InChI

InChI=1S/C15H14N6O2S2/c16-14(24)18-12(22)10-3-1-5-20(7-10)9-21-6-2-4-11(8-21)13(23)19-15(17)25/h1-8H,9H2,(H4-2,16,17,18,19,22,23,24,25)/p+2