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

Systemtic Name: diethyl 5-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-methoxycarbonyl-5-phenyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-methoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-methoxycarbonyl-5-phenylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbomethoxy-5-phenyl-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C25H24N2O6S2 MolecularWeight: 512.59786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O6S2/c1-4-32-22(28)16-11-17(23(29)33-5-2)13-18(12-16)26-25(34)27-21-19(24(30)31-3)14-20(35-21)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H2,26,27,34)