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

Systemtic Name: 6-ethyl-2-(pyridin-3-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Openeye Name: 6-ethyl-2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide CAS Name: 6-ethyl-2-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide IUPAC Name: 6-ethyl-2-(pyridine-3-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Traditional Name: 6-ethyl-2-(nicotinoylthiocarbamoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide Formula: C17H20N5O2S2+ MolecularWeight: 390.503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S2/c1-2-22-7-5-11-12(9-22)26-16(13(11)14(18)23)21-17(25)20-15(24)10-4-3-6-19-8-10/h3-4,6,8H,2,5,7,9H2,1H3,(H2,18,23)(H2,20,21,24,25)/p+1