3,5-bis(chloranyl)-2-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dichloro-2-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dichloro-2-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C21H14Cl2N2O3S MolecularWeight: 445.31846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C21H14Cl2N2O3S/c22-15-10-16(20(27)28)18(17(23)11-15)24-21(29)25-19(26)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,27,28)(H2,24,25,26,29)