2-[[2-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-[1-(4-methylsulfanyl-3-nitro-benzoyl)-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]-1-imidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-[1-(4-methylsulfanyl-3-nitrobenzoyl)piperidin-4-yl]imidazol-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-[1-[4-(methylthio)-3-nitro-benzoyl]-4-piperidyl]imidazol-1-yl]methyl]isoindoline-1,3-quinone Formula: C25H23N5O5S MolecularWeight: 505.54562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O5S/c1-36-21-7-6-17(14-20(21)30(34)35)23(31)27-11-8-16(9-12-27)22-26-10-13-28(22)15-29-24(32)18-4-2-3-5-19(18)25(29)33/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3