(3,4-dimethoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C22H25N3O3S/c1-14-5-8-19-20(15(14)2)23-22(29-19)25-11-9-24(10-12-25)21(26)16-6-7-17(27-3)18(13-16)28-4/h5-8,13H,9-12H2,1-4H3