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

Systemtic Name: diethyl 2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbethoxy-5-phenyl-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6S2/c1-4-32-23(29)17-12-13-18(24(30)33-5-2)20(14-17)27-26(35)28-22-19(25(31)34-6-3)15-21(36-22)16-10-8-7-9-11-16/h7-15H,4-6H2,1-3H3,(H2,27,28,35)