N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)thiocarbamoyl]benzamide Formula: C17H17N4OS2+ MolecularWeight: 357.47308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4OS2/c1-21-8-7-12-13(9-18)16(24-14(12)10-21)20-17(23)19-15(22)11-5-3-2-4-6-11/h2-6H,7-8,10H2,1H3,(H2,19,20,22,23)/p+1