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

Systemtic Name: methyl 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-yl)carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H26N3O2S2+ MolecularWeight: 356.52654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CC[NH+](CC2)CC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CC[NH+](CC2)CC)C

InChI

InChI=1S/C16H25N3O2S2/c1-5-12-11(3)23-14(13(12)15(20)21-4)17-16(22)19-9-7-18(6-2)8-10-19/h5-10H2,1-4H3,(H,17,22)/p+1