N-[[5-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[5-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[5-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[5-[[2-(4-butylanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[5-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[5-[[2-(4-butylanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-benzamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CNC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H23FN4O3S/c1-2-3-6-15-9-11-16(12-10-15)25-19(28)14-31-22-27-26-20(30-22)13-24-21(29)17-7-4-5-8-18(17)23/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,24,29)(H,25,28)