2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O3S/c26-20(14-29-13-19-21-17-3-1-2-4-18(17)22-19)24-11-9-23(10-12-24)15-5-7-16(8-6-15)25(27)28/h1-8H,9-14H2,(H,21,22)