methyl 4-[(4-propoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(4-propoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(4-propoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[4-[oxo(propoxy)methyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-propoxycarbonylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(4-propoxycarbonylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H20N2O5S/c1-3-12-27-19(25)15-8-10-16(11-9-15)21-20(28)22-17(23)13-4-6-14(7-5-13)18(24)26-2/h4-11H,3,12H2,1-2H3,(H2,21,22,23,28)