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

Systemtic Name: 1-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfanyl)butan-1-one CAS Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methylphenyl)thio]-1-butanone IUPAC Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazino]-4-(p-tolylthio)butan-1-one Formula: C22H24ClN3OS2 MolecularWeight: 446.02846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H24ClN3OS2/c1-16-7-9-17(10-8-16)28-15-3-6-20(27)25-11-13-26(14-12-25)22-24-21-18(23)4-2-5-19(21)29-22/h2,4-5,7-10H,3,6,11-15H2,1H3