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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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