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

Systemtic Name: 4-methyl-3-(2-phenylethanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(2-phenylacetyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(2-phenylacetyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

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