6-ethyl-2-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-ethyl-2-[(1-methylpyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-ethyl-2-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-ethyl-2-[[[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-ethyl-2-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-ethyl-2-[(1-methylpyrazole-3-carbonyl)thiocarbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C16H21N6O2S2+ MolecularWeight: 393.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=NN(C=C3)C

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=NN(C=C3)C

InChI

InChI=1S/C16H20N6O2S2/c1-3-22-7-4-9-11(8-22)26-15(12(9)13(17)23)19-16(25)18-14(24)10-5-6-21(2)20-10/h5-6H,3-4,7-8H2,1-2H3,(H2,17,23)(H2,18,19,24,25)/p+1