3-(2,2-diphenylethanoylcarbamothioylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(2,2-diphenylethanoylcarbamothioylamino)-4-methyl-benzoic acid Openeye Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2,2-diphenylacetyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H20N2O3S/c1-15-12-13-18(22(27)28)14-19(15)24-23(29)25-21(26)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,27,28)(H2,24,25,26,29)