methyl 2-(2-phenoxypropanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(2-phenoxypropanoylcarbamothioylamino)benzoate Openeye Name: methyl 2-(2-phenoxypropanoylcarbamothioylamino)benzoate CAS Name: 2-[[[(1-oxo-2-phenoxypropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(2-phenoxypropanoylcarbamothioylamino)benzoate Traditional Name: 2-(2-phenoxypropanoylthiocarbamoylamino)benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=CC=C1C(=O)OC)OC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=CC=C1C(=O)OC)OC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4S/c1-12(24-13-8-4-3-5-9-13)16(21)20-18(25)19-15-11-7-6-10-14(15)17(22)23-2/h3-12H,1-2H3,(H2,19,20,21,25)