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

Systemtic Name: dimethyl 5-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-benzyl-3-ethoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[3-ethoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-benzyl-3-ethoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-benzyl-3-carbethoxy-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H24N2O6S2 MolecularWeight: 512.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H24N2O6S2/c1-4-33-24(30)20-14-19(10-15-8-6-5-7-9-15)35-21(20)27-25(34)26-18-12-16(22(28)31-2)11-17(13-18)23(29)32-3/h5-9,11-14H,4,10H2,1-3H3,(H2,26,27,34)