dimethyl 5-[bis(2-phenylethanoyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[bis(2-phenylethanoyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[bis(2-phenylacetyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[bis(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[bis(2-phenylacetyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[bis(2-phenylacetyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H24N2O6S/c1-34-25(32)20-15-21(26(33)35-2)17-22(16-20)28-27(36)29(23(30)13-18-9-5-3-6-10-18)24(31)14-19-11-7-4-8-12-19/h3-12,15-17H,13-14H2,1-2H3,(H,28,36)