1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4O2S2/c1-28-15-8-9-16-18(11-15)25-22(24-16)29-13-20(27)26-10-4-5-14(12-26)21-23-17-6-2-3-7-19(17)30-21/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,24,25)/t14-/m0/s1