2-methyl-3-(2-phenylethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 2-methyl-3-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 2-methyl-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c1-11-13(16(21)22)8-5-9-14(11)18-17(23)19-15(20)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,21,22)(H2,18,19,20,23)