1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C17H23N3O2S/c1-3-5-16(21)19-8-10-20(11-9-19)17-18-14-7-6-13(22-4-2)12-15(14)23-17/h6-7,12H,3-5,8-11H2,1-2H3