2-chloranyl-4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-benzyloxybenzoyl)carbamothioylamino]-2-chloro-benzoic acid CAS Name: 2-chloro-4-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-benzoxybenzoyl)thiocarbamoylamino]-2-chloro-benzoic acid Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C22H17ClN2O4S/c23-19-12-16(9-10-18(19)21(27)28)24-22(30)25-20(26)15-7-4-8-17(11-15)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,27,28)(H2,24,25,26,30)