4-(2-phenoxypropanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(2-phenoxypropanoylcarbamothioylamino)benzoic acid Openeye Name: 4-(2-phenoxypropanoylcarbamothioylamino)benzoic acid CAS Name: 4-[[[(1-oxo-2-phenoxypropyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(2-phenoxypropanoylcarbamothioylamino)benzoic acid Traditional Name: 4-(2-phenoxypropanoylthiocarbamoylamino)benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O4S/c1-11(23-14-5-3-2-4-6-14)15(20)19-17(24)18-13-9-7-12(8-10-13)16(21)22/h2-11H,1H3,(H,21,22)(H2,18,19,20,24)