1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-[(4-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-[(4-methylbenzyl)thio]ethanone Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

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