methyl 5-ethyl-2-[(1-methylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(1-methylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(1-methylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(1-methyl-4-piperidin-1-iumyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(1-methylpiperidin-1-ium-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(1-methylpiperidin-1-ium-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H24N3O2S2+ MolecularWeight: 342.49996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2CC[NH+](CC2)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2CC[NH+](CC2)C)C(=O)OC

InChI

InChI=1S/C15H23N3O2S2/c1-4-11-9-12(14(19)20-3)13(22-11)17-15(21)16-10-5-7-18(2)8-6-10/h9-10H,4-8H2,1-3H3,(H2,16,17,21)/p+1