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

Systemtic Name: dipropan-2-yl 5-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbethoxy-5-phenyl-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C28H30N2O6S2 MolecularWeight: 554.6776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C28H30N2O6S2/c1-6-34-27(33)22-15-23(18-10-8-7-9-11-18)38-24(22)30-28(37)29-21-13-19(25(31)35-16(2)3)12-20(14-21)26(32)36-17(4)5/h7-17H,6H2,1-5H3,(H2,29,30,37)