1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

Systemtic Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]-2-(4-methoxyphenyl)ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)OC)C

InChI

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