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

Systemtic Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(2-ethylbutanoyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-3-13(4-2)18(23)21-10-8-20(9-11-21)12-16-19-14-6-5-7-15(22)17(14)24-16/h13H,3-12H2,1-2H3