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

Systemtic Name: (3,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H25N3O2S/c1-4-27-18-6-5-7-19-20(18)23-22(28-19)25-12-10-24(11-13-25)21(26)17-9-8-15(2)16(3)14-17/h5-9,14H,4,10-13H2,1-3H3