N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[1-(furan-3-carbonyl)-4-piperidyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[1-(3-furoyl)-4-piperidyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)C(=O)C3=COC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2CCN(CC2)C(=O)C3=COC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-15(2)8-12-31-20-4-3-16(13-19(20)25(28)29)21(26)23-18-5-9-24(10-6-18)22(27)17-7-11-30-14-17/h3-4,7,11,13-15,18H,5-6,8-10,12H2,1-2H3,(H,23,26)