[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

Systemtic Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone Openeye Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone CAS Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone Traditional Name: [4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-(3,4-dimethylphenyl)methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)OC)OC)C

InChI

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