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

Systemtic Name: 2-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[(4-isovalerylpiperazino)methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-12(2)10-16(22)20-8-6-19(7-9-20)11-15-18-13-4-3-5-14(21)17(13)23-15/h12H,3-11H2,1-2H3