[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-1-piperidyl]-(4-methylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-[1-[(4-methoxyphenyl)methyl]-2-imidazolyl]-1-piperidinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(1-p-anisylimidazol-2-yl)piperidino]methanone Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

InChI

InChI=1S/C24H26N4O4S/c1-32-20-6-3-17(4-7-20)16-27-14-11-25-23(27)18-9-12-26(13-10-18)24(29)19-5-8-22(33-2)21(15-19)28(30)31/h3-8,11,14-15,18H,9-10,12-13,16H2,1-2H3