methyl 4-[(phenylcarbamothioylamino)methyl]benzoate

Systemtic Name: methyl 4-[(phenylcarbamothioylamino)methyl]benzoate Openeye Name: methyl 4-[(phenylcarbamothioylamino)methyl]benzoate CAS Name: 4-[[[anilino(sulfanylidene)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(phenylcarbamothioylamino)methyl]benzoate Traditional Name: 4-[(phenylthiocarbamoylamino)methyl]benzoic acid methyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S/c1-20-15(19)13-9-7-12(8-10-13)11-17-16(21)18-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,17,18,21)