4-methyl-3-(2-phenoxyethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(2-phenoxyethanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2

InChI

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