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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H25N4O2S2+ MolecularWeight: 357.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NN2CC[NH+](CC2)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NN2CC[NH+](CC2)C)C

InChI

InChI=1S/C15H24N4O2S2/c1-5-11-10(2)23-13(12(11)14(20)21-4)16-15(22)17-19-8-6-18(3)7-9-19/h5-9H2,1-4H3,(H2,16,17,22)/p+1