6-ethyl-2-(furan-2-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide

Systemtic Name: 6-ethyl-2-(furan-2-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-ethyl-2-(furan-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-ethyl-2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-ethyl-2-(furan-2-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-ethyl-2-(2-furoylthiocarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C16H19N4O3S2+ MolecularWeight: 379.47706

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H18N4O3S2/c1-2-20-6-5-9-11(8-20)25-15(12(9)13(17)21)19-16(24)18-14(22)10-4-3-7-23-10/h3-4,7H,2,5-6,8H2,1H3,(H2,17,21)(H2,18,19,22,24)/p+1