dimethyl 2-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(5-benzyl-3-ethoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[[3-ethoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-benzyl-3-ethoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(5-benzyl-3-carbethoxy-2-thienyl)thiocarbamoylamino]benzene-1,4-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=C(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

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