2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C20H17N5O3S3 MolecularWeight: 471.57568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H17N5O3S3/c26-18(12-29-20-22-14-3-1-2-4-16(14)31-20)23-7-9-24(10-8-23)19-21-15-6-5-13(25(27)28)11-17(15)30-19/h1-6,11H,7-10,12H2