4-methyl-3-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[[3-(phenoxymethyl)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[oxo-[3-(phenoxymethyl)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[[3-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S/c1-15-10-11-18(22(27)28)13-20(15)24-23(30)25-21(26)17-7-5-6-16(12-17)14-29-19-8-3-2-4-9-19/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,26,30)