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

Systemtic Name: dipropan-2-yl 5-[(3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbomethoxy-5-methyl-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S2/c1-11(2)29-19(25)14-8-15(20(26)30-12(3)4)10-16(9-14)23-22(31)24-18-17(21(27)28-6)7-13(5)32-18/h7-12H,1-6H3,(H2,23,24,31)