dimethyl 5-(3-phenylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(3-phenylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(3-phenylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-phenylpropanoylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(hydrocinnamoylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20N2O5S/c1-26-18(24)14-10-15(19(25)27-2)12-16(11-14)21-20(28)22-17(23)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H2,21,22,23,28)