4-[1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-[3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3O2S/c1-15(27-18-10-8-16(13-23)9-11-18)22(26)25-12-4-5-17(14-25)21-24-19-6-2-3-7-20(19)28-21/h2-3,6-11,15,17H,4-5,12,14H2,1H3