3-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H14Cl2N2O4S/c1-9-2-3-10(16(23)24)6-13(9)20-17(26)21-15(22)8-25-14-5-4-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)