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

Systemtic Name: [8-(4-methyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone Openeye Name: [8-(4-methyl-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone CAS Name: [8-[(4-methyl-3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenylmethanone IUPAC Name: [8-(4-methyl-3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenylmethanone Traditional Name: [8-(4-methyl-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-16-7-8-18(15-19(16)25(28)29)20(26)23-11-9-22(10-12-23)24(13-14-30-22)21(27)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3