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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C14H21N3O2S2/c1-9-10(2)21-12(11(9)13(18)19-4)15-14(20)17-7-5-16(3)6-8-17/h5-8H2,1-4H3,(H,15,20)/p+1