(2,5-dimethylphenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2,5-dimethylphenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2,5-dimethylphenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2,5-dimethylphenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2,5-dimethylphenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2,5-dimethylphenyl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C22H25N3OS/c1-4-17-6-5-7-19-20(17)23-22(27-19)25-12-10-24(11-13-25)21(26)18-14-15(2)8-9-16(18)3/h5-9,14H,4,10-13H2,1-3H3