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

Systemtic Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]-3-(p-tolylthio)propan-1-one Formula: C23H27N3OS2 MolecularWeight: 425.60998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3OS2/c1-16-4-7-19(8-5-16)28-15-10-21(27)25-11-13-26(14-12-25)23-24-22-18(3)17(2)6-9-20(22)29-23/h4-9H,10-15H2,1-3H3