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

Systemtic Name: 2-[[4-[2-oxidanylidene-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-oxo-2-(4-pyridylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[2-oxo-2-(pyridin-4-ylamino)ethyl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-2-(4-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=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=NC=C3)C(=O)O

InChI

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