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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(4-fluorophenyl)piperazino]butan-1-one Formula: C21H22FN3OS2 MolecularWeight: 415.547283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22FN3OS2/c22-16-7-9-17(10-8-16)24-11-13-25(14-12-24)20(26)6-3-15-27-21-23-18-4-1-2-5-19(18)28-21/h1-2,4-5,7-10H,3,6,11-15H2