3-methyl-4-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 3-methyl-4-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: 3-methyl-4-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-methyl-4-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-methyl-4-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-methyl-4-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)C(=O)[O-])C

InChI

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