diethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-piperonylpiperazin-4-ium-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H30N3O6S2+ MolecularWeight: 520.6415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29N3O6S2/c1-4-30-22(28)19-15(3)20(23(29)31-5-2)35-21(19)25-24(34)27-10-8-26(9-11-27)13-16-6-7-17-18(12-16)33-14-32-17/h6-7,12H,4-5,8-11,13-14H2,1-3H3,(H,25,34)/p+1