1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone

Systemtic Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-(2-naphthoxy)ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)COC4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCN(CC3)C(=O)COC4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C25H25N3O2S/c1-17-13-18(2)24-22(14-17)31-25(26-24)28-11-9-27(10-12-28)23(29)16-30-21-8-7-19-5-3-4-6-20(19)15-21/h3-8,13-15H,9-12,16H2,1-2H3