4-[[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoyl]amino]benzoic acid CAS Name: 4-[[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoyl]amino]benzoic acid Formula: C23H15ClN2O4S MolecularWeight: 450.8942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C23H15ClN2O4S/c24-19-16-6-2-4-8-18(16)31-20(19)22(28)26-17-7-3-1-5-15(17)21(27)25-14-11-9-13(10-12-14)23(29)30/h1-12H,(H,25,27)(H,26,28)(H,29,30)