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

Systemtic Name: dimethyl 5-[(2-phenylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-phenylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-phenylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-phenylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-phenylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H20N2O4S/c1-28-21(26)16-12-17(22(27)29-2)14-18(13-16)24-23(30)25-20-11-7-6-10-19(20)15-8-4-3-5-9-15/h3-14H,1-2H3,(H2,24,25,30)