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

Systemtic Name: 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole CAS Name: 2-[3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]propylthio]-1,3-benzothiazole IUPAC Name: 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylpropylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[3-[4-(4-nitrophenyl)piperazino]sulfonylpropylthio]-1,3-benzothiazole Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O4S3/c25-24(26)17-8-6-16(7-9-17)22-10-12-23(13-11-22)31(27,28)15-3-14-29-20-21-18-4-1-2-5-19(18)30-20/h1-2,4-9H,3,10-15H2