1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfanyl)butan-1-one CAS Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methylphenyl)thio]-1-butanone IUPAC Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-4-(p-tolylthio)butan-1-one Formula: C24H29N3OS2 MolecularWeight: 439.63656

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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(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)C

InChI

InChI=1S/C24H29N3OS2/c1-17-6-9-20(10-7-17)29-16-4-5-22(28)26-12-14-27(15-13-26)24-25-23-19(3)18(2)8-11-21(23)30-24/h6-11H,4-5,12-16H2,1-3H3