2-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(3,3-dimethylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(3,3-dimethylbutanoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)CC2=NC3=C(S2)C(=O)CCC3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)CC2=NC3=C(S2)C(=O)CCC3

InChI

InChI=1S/C18H27N3O2S/c1-18(2,3)11-16(23)21-9-7-20(8-10-21)12-15-19-13-5-4-6-14(22)17(13)24-15/h4-12H2,1-3H3