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

Systemtic Name: dipropan-2-yl 5-[(3-methoxycarbonyl-5-phenyl-thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 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 dipropan-2-yl ester IUPAC Name: dipropan-2-yl 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 diisopropyl ester Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6S2/c1-15(2)34-24(30)18-11-19(25(31)35-16(3)4)13-20(12-18)28-27(36)29-23-21(26(32)33-5)14-22(37-23)17-9-7-6-8-10-17/h6-16H,1-5H3,(H2,28,29,36)