ethyl 2-(phenylcarbamothioylamino)-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: ethyl 2-(phenylcarbamothioylamino)-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: ethyl 2-(phenylcarbamothioylamino)-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenylcarbamothioylamino)-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(phenylthiocarbamoylamino)-6-propyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid ethyl ester Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-3-11-23-12-10-15-16(13-23)27-18(17(15)19(24)25-4-2)22-20(26)21-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,21,22,26)/p+1