3-methyl-1-[8-(4-methyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[8-(4-methyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]butan-1-one Openeye Name: 3-methyl-1-[8-(4-methyl-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]butan-1-one CAS Name: 3-methyl-1-[8-[(4-methyl-3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[8-(4-methyl-3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]butan-1-one Traditional Name: 3-methyl-1-[8-(4-methyl-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]butan-1-one Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-14(2)12-18(24)22-10-11-28-20(22)6-8-21(9-7-20)19(25)16-5-4-15(3)17(13-16)23(26)27/h4-5,13-14H,6-12H2,1-3H3