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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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