1-[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[(3S)-3-(4-methoxyanilino)-1-piperidyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[(3S)-3-(4-methoxyanilino)-1-piperidinyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-[(3S)-3-(p-anisidino)piperidino]ethanone Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCCC(C3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC[C@@H](C3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H26N4O2S/c1-15-5-10-19-20(12-15)25-22(24-19)29-14-21(27)26-11-3-4-17(13-26)23-16-6-8-18(28-2)9-7-16/h5-10,12,17,23H,3-4,11,13-14H2,1-2H3,(H,24,25)/t17-/m0/s1