4-chloranyl-3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C18H17ClN2O4S/c1-2-11-3-6-13(7-4-11)25-10-16(22)21-18(26)20-15-9-12(17(23)24)5-8-14(15)19/h3-9H,2,10H2,1H3,(H,23,24)(H2,20,21,22,26)