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

Systemtic Name: methyl 2-[(4-ethylpiperazin-4-ium-1-yl)carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H22N3O2S2+ MolecularWeight: 328.47338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S2/c1-4-16-5-7-17(8-6-16)14(20)15-12-11(13(18)19-3)9-10(2)21-12/h9H,4-8H2,1-3H3,(H,15,20)/p+1