2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[3-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole CAS Name: 2-[3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propylthio]-1,3-benzothiazole IUPAC Name: 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[3-[3-methyl-4-(m-tolyl)piperazino]sulfonylpropylthio]-1,3-benzothiazole Formula: C22H27N3O2S3 MolecularWeight: 461.66368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H27N3O2S3/c1-17-7-5-8-19(15-17)25-12-11-24(16-18(25)2)30(26,27)14-6-13-28-22-23-20-9-3-4-10-21(20)29-22/h3-5,7-10,15,18H,6,11-14,16H2,1-2H3