N-[3-[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[1-[(2,5-dimethoxyphenyl)carbamoyl]propylsulfanyl]phenyl]-4-fluoro-benzamide CAS Name: N-[3-[[1-(2,5-dimethoxyanilino)-1-oxobutan-2-yl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-[1-(2,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[3-[1-[(2,5-dimethoxyphenyl)carbamoyl]propylthio]phenyl]-4-fluoro-benzamide Formula: C25H25FN2O4S MolecularWeight: 468.540403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H25FN2O4S/c1-4-23(25(30)28-21-15-19(31-2)12-13-22(21)32-3)33-20-7-5-6-18(14-20)27-24(29)16-8-10-17(26)11-9-16/h5-15,23H,4H2,1-3H3,(H,27,29)(H,28,30)