4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-chloro-2-fluoro-benzoyl)piperazino]butan-1-one Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClFN3O2S/c23-15-8-9-17(24)16(14-15)22(29)27-12-10-26(11-13-27)21(28)7-3-6-20-25-18-4-1-2-5-19(18)30-20/h1-2,4-5,8-9,14H,3,6-7,10-13H2