1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone

Systemtic Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone Openeye Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone CAS Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2-methylphenoxy)ethanone IUPAC Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone Traditional Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-(2-methylphenoxy)ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4C

InChI

InChI=1S/C22H25N3O2S/c1-15-6-4-5-7-18(15)27-14-19(26)24-10-12-25(13-11-24)22-23-20-16(2)8-9-17(3)21(20)28-22/h4-9H,10-14H2,1-3H3