1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-(4-phenoxybutyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-(4-phenoxybutyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-(4-phenoxybutyl)piperazin-1-yl]propan-2-ol CAS Name: 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-(4-phenoxybutyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-(4-phenoxybutyl)piperazin-1-yl]propan-2-ol Traditional Name: 1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-3-[4-(4-phenoxybutyl)piperazino]propan-2-ol Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)CCCCOC4=CC=CC=C4)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)CCCCOC4=CC=CC=C4)O

InChI

InChI=1S/C25H33N3O3S/c1-20-26-24-17-23(9-10-25(24)32-20)31-19-21(29)18-28-14-12-27(13-15-28)11-5-6-16-30-22-7-3-2-4-8-22/h2-4,7-10,17,21,29H,5-6,11-16,18-19H2,1H3