methyl 4-methoxy-3-[phenylcarbonylcarbamothioyl(propyl)amino]benzoate

Systemtic Name: methyl 4-methoxy-3-[phenylcarbonylcarbamothioyl(propyl)amino]benzoate Openeye Name: methyl 3-[benzoylcarbamothioyl(propyl)amino]-4-methoxy-benzoate CAS Name: 3-[[benzamido(sulfanylidene)methyl]-propylamino]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[benzoylcarbamothioyl(propyl)amino]-4-methoxybenzoate Traditional Name: 3-[benzoylthiocarbamoyl(propyl)amino]-4-methoxy-benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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