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

Systemtic Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(4-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(C=CC=C3S2)OCC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC3=C(C=CC=C3S2)OCC

InChI

InChI=1S/C17H23N3O2S/c1-3-6-15(21)19-9-11-20(12-10-19)17-18-16-13(22-4-2)7-5-8-14(16)23-17/h5,7-8H,3-4,6,9-12H2,1-2H3