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

Systemtic Name: dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-piperonylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C22H25N3O6S2/c1-13-17(20(26)28-2)19(33-18(13)21(27)29-3)23-22(32)25-8-6-24(7-9-25)11-14-4-5-15-16(10-14)31-12-30-15/h4-5,10H,6-9,11-12H2,1-3H3,(H,23,32)