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

Systemtic Name: 4-methyl-3-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=CC=CC=C2C

InChI

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