dimethyl 2-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-methoxycarbonyl-5-phenyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3-methoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-methoxycarbonyl-5-phenylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbomethoxy-5-phenyl-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H20N2O6S2 MolecularWeight: 484.5447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H20N2O6S2/c1-29-20(26)14-9-10-15(21(27)30-2)17(11-14)24-23(32)25-19-16(22(28)31-3)12-18(33-19)13-7-5-4-6-8-13/h4-12H,1-3H3,(H2,24,25,32)