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

Systemtic Name: N-carbamothioyl-1-[3-[3-(carbamothioylcarbamoyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxamide Openeye Name: N-carbamothioyl-1-[3-[3-(carbamothioylcarbamoyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxamide CAS Name: N-carbamothioyl-1-[3-[3-[(carbamothioylamino)-oxomethyl]-1-pyridin-1-iumyl]propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-carbamothioyl-1-[3-[3-(carbamothioylcarbamoyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxamide Traditional Name: N-thiocarbamoyl-1-[3-[3-(thiocarbamoylcarbamoyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxamide Formula: C17H20N6O2S2+2 MolecularWeight: 404.5097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O2S2/c18-16(26)20-14(24)12-4-1-6-22(10-12)8-3-9-23-7-2-5-13(11-23)15(25)21-17(19)27/h1-2,4-7,10-11H,3,8-9H2,(H4-2,18,19,20,21,24,25,26,27)/p+2