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

Systemtic Name: dimethyl 2-[(3-methoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3-methoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-methoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbomethoxy-5-methyl-4-phenyl-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H22N2O6S2 MolecularWeight: 498.57128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H22N2O6S2/c1-13-18(14-8-6-5-7-9-14)19(23(29)32-4)20(34-13)26-24(33)25-17-12-15(21(27)30-2)10-11-16(17)22(28)31-3/h5-12H,1-4H3,(H2,25,26,33)