methyl 4,5-dimethyl-2-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(1-propyl-4-piperidin-1-iumyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(1-propylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(1-propylpiperidin-1-ium-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H28N3O2S2+ MolecularWeight: 370.55312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C17H27N3O2S2/c1-5-8-20-9-6-13(7-10-20)18-17(23)19-15-14(16(21)22-4)11(2)12(3)24-15/h13H,5-10H2,1-4H3,(H2,18,19,23)/p+1