4-[[[2,3-bis(chloranyl)phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2,3-bis(chloranyl)phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(2,3-dichlorophenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2,3-dichlorophenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(2,3-dichlorophenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C15H12Cl2N2O2S MolecularWeight: 355.23898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)Cl)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

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