1-(4-fluorophenyl)-4-[4-(2-methyl-4-sulfanyl-benzimidazol-1-yl)piperidin-1-yl]butan-1-one

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(2-methyl-4-sulfanyl-benzimidazol-1-yl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[4-(2-methyl-4-sulfanyl-benzimidazol-1-yl)-1-piperidyl]butan-1-one CAS Name: 1-(4-fluorophenyl)-4-[4-(4-mercapto-2-methyl-1-benzimidazolyl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-methyl-4-sulfanylbenzimidazol-1-yl)piperidin-1-yl]butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[4-(4-mercapto-2-methyl-benzimidazol-1-yl)piperidino]butan-1-one Formula: C23H26FN3OS MolecularWeight: 411.535443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)C=CC=C2S

Isomeric SMILES

CC1=NC2=C(N1C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)C=CC=C2S

InChI

InChI=1S/C23H26FN3OS/c1-16-25-23-20(4-2-6-22(23)29)27(16)19-11-14-26(15-12-19)13-3-5-21(28)17-7-9-18(24)10-8-17/h2,4,6-10,19,29H,3,5,11-15H2,1H3