4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-fluorobenzoyl)piperazino]butan-1-one Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2S/c23-17-10-8-16(9-11-17)22(28)26-14-12-25(13-15-26)21(27)7-3-6-20-24-18-4-1-2-5-19(18)29-20/h1-2,4-5,8-11H,3,6-7,12-15H2