4-[[[3,5-bis(chloranyl)phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3,5-bis(chloranyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(3,5-dichlorophenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,5-dichlorophenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(3,5-dichlorophenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C15H12Cl2N2O2S MolecularWeight: 355.23898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C15H12Cl2N2O2S/c16-11-5-12(17)7-13(6-11)19-15(22)18-8-9-1-3-10(4-2-9)14(20)21/h1-7H,8H2,(H,20,21)(H2,18,19,22)