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

Systemtic Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]butan-1-one Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS2/c1-3-4-15(20)18-7-9-19(10-8-18)16-17-13-6-5-12(21-2)11-14(13)22-16/h5-6,11H,3-4,7-10H2,1-2H3