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

Systemtic Name: dimethyl 5-[(4-cyclohexylpiperazin-4-ium-1-yl)carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-cyclohexylpiperazin-4-ium-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-cyclohexyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-cyclohexylpiperazin-4-ium-1-carbothioyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-cyclohexylpiperazin-4-ium-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H30N3O4S2+ MolecularWeight: 440.5999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S2/c1-13-15(18(24)26-2)17(29-16(13)19(25)27-3)21-20(28)23-11-9-22(10-12-23)14-7-5-4-6-8-14/h14H,4-12H2,1-3H3,(H,21,28)/p+1