2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-29-16-6-7-17-18(12-16)22-20(21-17)30-13-19(26)24-10-8-23(9-11-24)14-2-4-15(5-3-14)25(27)28/h2-7,12H,8-11,13H2,1H3,(H,21,22)