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

Systemtic Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanyl-butan-1-one Openeye Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(p-tolylsulfanyl)butan-1-one CAS Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-4-[(4-methylphenyl)thio]-1-butanone IUPAC Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)sulfanylbutan-1-one Traditional Name: 1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]-4-(p-tolylthio)butan-1-one Formula: C23H27N3OS2 MolecularWeight: 425.60998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)C

InChI

InChI=1S/C23H27N3OS2/c1-17-8-10-19(11-9-17)28-16-4-7-21(27)25-12-14-26(15-13-25)23-24-22-18(2)5-3-6-20(22)29-23/h3,5-6,8-11H,4,7,12-16H2,1-2H3