3,5-bis(chloranyl)-2-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[2-(4-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[[2-(4-isopropylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dichloro-2-[[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dichloro-2-[[2-(4-isopropylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C19H18Cl2N2O4S MolecularWeight: 441.32822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl2N2O4S/c1-10(2)11-3-5-13(6-4-11)27-9-16(24)22-19(28)23-17-14(18(25)26)7-12(20)8-15(17)21/h3-8,10H,9H2,1-2H3,(H,25,26)(H2,22,23,24,28)