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

Systemtic Name: methyl 2-[(4-cyclohexylpiperazin-4-ium-1-yl)carbothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-cyclohexylpiperazin-4-ium-1-carbothioyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-cyclohexyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-cyclohexylpiperazin-4-ium-1-carbothioyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-cyclohexylpiperazin-4-ium-1-carbothioyl)amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H33N4O3S2+ MolecularWeight: 453.64172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CC[NH+](CC2)C3CCCCC3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CC[NH+](CC2)C3CCCCC3)C(=O)N(C)C

InChI

InChI=1S/C21H32N4O3S2/c1-14-16(20(27)28-4)18(30-17(14)19(26)23(2)3)22-21(29)25-12-10-24(11-13-25)15-8-6-5-7-9-15/h15H,5-13H2,1-4H3,(H,22,29)/p+1