1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol

Systemtic Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]propan-2-ol CAS Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol IUPAC Name: 1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]propan-2-ol Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CC(COC4=C(C=C(C=C4)CC=C)OC)O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CC(COC4=C(C=C(C=C4)CC=C)OC)O

InChI

InChI=1S/C26H33N3O3S/c1-4-7-20-10-11-23(24(16-20)31-3)32-18-21(30)17-28-12-14-29(15-13-28)19(2)26-27-22-8-5-6-9-25(22)33-26/h4-6,8-11,16,19,21,30H,1,7,12-15,17-18H2,2-3H3