methyl 3-methoxy-4-(phenylcarbamothioyl)benzoate

Systemtic Name: methyl 3-methoxy-4-(phenylcarbamothioyl)benzoate Openeye Name: methyl 3-methoxy-4-(phenylcarbamothioyl)benzoate CAS Name: 4-[anilino(sulfanylidene)methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-(phenylcarbamothioyl)benzoate Traditional Name: 3-methoxy-4-(phenylthiocarbamoyl)benzoic acid methyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)C(=S)NC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H15NO3S/c1-19-14-10-11(16(18)20-2)8-9-13(14)15(21)17-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,21)