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

Systemtic Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Openeye Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide CAS Name: N-[[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Traditional Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)thiocarbamoyl]benzamide Formula: C20H23N4OS2+ MolecularWeight: 399.55282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS2/c1-20(2,3)24-10-9-14-15(11-21)18(27-16(14)12-24)23-19(26)22-17(25)13-7-5-4-6-8-13/h4-8H,9-10,12H2,1-3H3,(H2,22,23,25,26)/p+1