dimethyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate; ethanoic acid

Systemtic Name: dimethyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate; ethanoic acid Openeye Name: acetic acid; dimethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: acetic acid; 2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: acetic acid; dimethyl 2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: acetic acid; 2-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(=O)O.COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H21N3O6S.C2H4O2/c1-27-18(25)13-5-6-14(19(26)28-2)15(12-13)21-20(30)23-9-7-22(8-10-23)17(24)16-4-3-11-29-16;1-2(3)4/h3-6,11-12H,7-10H2,1-2H3,(H,21,30);1H3,(H,3,4)