4-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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