methyl 3-(phenethylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(phenethylcarbamothioylamino)benzoate Openeye Name: methyl 3-(phenethylcarbamothioylamino)benzoate CAS Name: 3-[[(phenethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(phenethylcarbamothioylamino)benzoate Traditional Name: 3-(phenethylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O2S/c1-21-16(20)14-8-5-9-15(12-14)19-17(22)18-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H2,18,19,22)