2-[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl]thio]benzoic acid Formula: C18H17FN2O4S MolecularWeight: 376.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2O4S/c19-12-5-7-13(8-6-12)21(10-9-16(20)22)17(23)11-26-15-4-2-1-3-14(15)18(24)25/h1-8H,9-11H2,(H2,20,22)(H,24,25)