1-[8-(4-methyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[8-(4-methyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[8-(4-methyl-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-phenoxy-ethanone CAS Name: 1-[8-[(4-methyl-3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-phenoxyethanone IUPAC Name: 1-[8-(4-methyl-3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-phenoxyethanone Traditional Name: 1-[8-(4-methyl-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-phenoxy-ethanone Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)N(CCS3)C(=O)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)N(CCS3)C(=O)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5S/c1-17-7-8-18(15-20(17)26(29)30)22(28)24-11-9-23(10-12-24)25(13-14-32-23)21(27)16-31-19-5-3-2-4-6-19/h2-8,15H,9-14,16H2,1H3