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

Systemtic Name: [4-(1,2-benzothiazol-3-ylcarbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-[1,2-benzothiazol-3-yl(oxo)methyl]-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(1,2-benzothiazole-3-carbonyl)piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=NSC4=CC=CC=C43)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-16-8-7-14(13-17(16)28-2)20(25)23-9-11-24(12-10-23)21(26)19-15-5-3-4-6-18(15)29-22-19/h3-8,13H,9-12H2,1-2H3