[4-(4-nitrophenyl)piperazin-1-yl]-[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]methanone Openeye Name: [3-(benzylsulfanylmethyl)benzofuran-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-[3-[(phenylmethylthio)methyl]-2-benzofuranyl]methanone IUPAC Name: [3-(benzylsulfanylmethyl)-1-benzofuran-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-[(benzylthio)methyl]benzofuran-2-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-27(29-16-14-28(15-17-29)21-10-12-22(13-11-21)30(32)33)26-24(23-8-4-5-9-25(23)34-26)19-35-18-20-6-2-1-3-7-20/h1-13H,14-19H2