N-[3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-[1-[(2,6-dimethylphenyl)carbamoyl]propylsulfanyl]phenyl]-2-fluoro-benzamide CAS Name: N-[3-[[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[3-[1-[(2,6-dimethylphenyl)carbamoyl]propylthio]phenyl]-2-fluoro-benzamide Formula: C25H25FN2O2S MolecularWeight: 436.541603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H25FN2O2S/c1-4-22(25(30)28-23-16(2)9-7-10-17(23)3)31-19-12-8-11-18(15-19)27-24(29)20-13-5-6-14-21(20)26/h5-15,22H,4H2,1-3H3,(H,27,29)(H,28,30)