1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3OS/c1-4-5-14(21)19-8-10-20(11-9-19)17-18-15-12(2)6-7-13(3)16(15)22-17/h6-7H,4-5,8-11H2,1-3H3