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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2-chlorophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2-chlorophenyl)piperazino]butan-1-one Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22ClN3OS2/c22-16-6-1-3-8-18(16)24-11-13-25(14-12-24)20(26)10-5-15-27-21-23-17-7-2-4-9-19(17)28-21/h1-4,6-9H,5,10-15H2