2-[4-[[[3-(1,3-benzothiazol-2-yl)phenyl]amino]methyl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[[[3-(1,3-benzothiazol-2-yl)phenyl]amino]methyl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[[3-(1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[3-(1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[[3-(1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[[3-(1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-piperidino-ethanone Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)CNC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)CNC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N3O2S/c31-26(30-15-4-1-5-16-30)19-32-23-13-11-20(12-14-23)18-28-22-8-6-7-21(17-22)27-29-24-9-2-3-10-25(24)33-27/h2-3,6-14,17,28H,1,4-5,15-16,18-19H2