2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole CAS Name: 2-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]propylthio]-1,3-benzothiazole IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[3-(4-piperonylpiperazino)sulfonylpropylthio]-1,3-benzothiazole Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CCCSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CCCSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H25N3O4S3/c26-32(27,13-3-12-30-22-23-18-4-1-2-5-21(18)31-22)25-10-8-24(9-11-25)15-17-6-7-19-20(14-17)29-16-28-19/h1-2,4-7,14H,3,8-13,15-16H2