2-[[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-oxo-2-(2-pyridylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-2-(2-pyridylamino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C21H17N3O4S/c25-19(24-18-7-3-4-12-22-18)13-29-15-10-8-14(9-11-15)23-20(26)16-5-1-2-6-17(16)21(27)28/h1-12H,13H2,(H,23,26)(H,27,28)(H,22,24,25)