1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone

Systemtic Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Openeye Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone CAS Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(2,4,6-trimethylphenyl)ethanone IUPAC Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone Traditional Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-2-mesityl-ethanone Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C24H29N3OS/c1-5-19-6-7-21-22(14-19)29-24(25-21)27-10-8-26(9-11-27)23(28)15-20-17(3)12-16(2)13-18(20)4/h6-7,12-14H,5,8-11,15H2,1-4H3