2-methyl-3-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 2-methyl-3-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

InChI

InChI=1S/C18H18N2O4S/c1-11-5-3-6-13(9-11)24-10-16(21)20-18(25)19-15-8-4-7-14(12(15)2)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)