1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanone

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanone Openeye Name: 2-(4-allyl-2-methoxy-phenoxy)-1-[3-(1,3-benzothiazol-2-yl)-1-piperidyl]ethanone CAS Name: 1-[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)-1-[3-(1,3-benzothiazol-2-yl)piperidino]ethanone Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H26N2O3S/c1-3-7-17-11-12-20(21(14-17)28-2)29-16-23(27)26-13-6-8-18(15-26)24-25-19-9-4-5-10-22(19)30-24/h3-5,9-12,14,18H,1,6-8,13,15-16H2,2H3