6-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[(2-phenylthiazol-4-yl)methyl]piperazino]methyl]sesamol Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O3S/c26-19-11-21-20(27-15-28-21)10-17(19)12-24-6-8-25(9-7-24)13-18-14-29-22(23-18)16-4-2-1-3-5-16/h1-5,10-11,14,26H,6-9,12-13,15H2