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

Systemtic Name: [3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [3-(cyclohexylsulfanylmethyl)benzofuran-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-[(cyclohexylthio)methyl]-2-benzofuranyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-[(cyclohexylthio)methyl]benzofuran-2-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O4S/c30-26(28-16-14-27(15-17-28)19-10-12-20(13-11-19)29(31)32)25-23(18-34-21-6-2-1-3-7-21)22-8-4-5-9-24(22)33-25/h4-5,8-13,21H,1-3,6-7,14-18H2