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

Systemtic Name: dimethyl 5-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-benzyl-3-methoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[3-methoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-benzyl-3-methoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-benzyl-3-carbomethoxy-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H22N2O6S2 MolecularWeight: 498.57128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H22N2O6S2/c1-30-21(27)15-10-16(22(28)31-2)12-17(11-15)25-24(33)26-20-19(23(29)32-3)13-18(34-20)9-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H2,25,26,33)