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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-methylphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(o-tolyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2-methylphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-methylphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(o-tolyl)piperazino]butan-1-one Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS2/c1-17-7-2-4-9-19(17)24-12-14-25(15-13-24)21(26)11-6-16-27-22-23-18-8-3-5-10-20(18)28-22/h2-5,7-10H,6,11-16H2,1H3