methyl 2-(1-phenylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(1-phenylethylcarbamothioylamino)benzoate Openeye Name: methyl 2-(1-phenylethylcarbamothioylamino)benzoate CAS Name: 2-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(1-phenylethylcarbamothioylamino)benzoate Traditional Name: 2-(1-phenylethylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H18N2O2S/c1-12(13-8-4-3-5-9-13)18-17(22)19-15-11-7-6-10-14(15)16(20)21-2/h3-12H,1-2H3,(H2,18,19,22)