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

Systemtic Name: diethyl 5-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C26H26N2O6S2 MolecularWeight: 526.62444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6S2/c1-4-33-23(29)17-12-18(24(30)34-5-2)14-19(13-17)27-26(35)28-22-21(25(31)32-3)15-20(36-22)11-16-9-7-6-8-10-16/h6-10,12-15H,4-5,11H2,1-3H3,(H2,27,28,35)