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

Systemtic Name: 1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]butan-1-one Openeye Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]butan-1-one CAS Name: 1-[1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-1-butanone IUPAC Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]butan-1-one Traditional Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]butan-1-one Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4S/c1-2-4-16(22)19-9-7-18(8-10-19)20(11-12-26-18)17(23)14-5-3-6-15(13-14)21(24)25/h3,5-6,13H,2,4,7-12H2,1H3