ethyl 4-[(4-propoxycarbonylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-propoxycarbonylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-propoxycarbonylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[[4-[oxo(propoxy)methyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-propoxycarbonylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-propoxycarbonylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H22N2O4S/c1-3-13-26-19(24)15-7-11-17(12-8-15)22-20(27)21-16-9-5-14(6-10-16)18(23)25-4-2/h5-12H,3-4,13H2,1-2H3,(H2,21,22,27)