N-(3,5-dimethylphenyl)-3-(5-methyl-2-nitro-phenyl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-(5-methyl-2-nitro-phenyl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-3-(5-methyl-2-nitro-benzoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-3-[(5-methyl-2-nitrophenyl)-oxomethyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-3-(5-methyl-2-nitrobenzoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-3-(5-methyl-2-nitro-benzoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCC3(C2)CCN(CC3)C(=S)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)N2CCC3(C2)CCN(CC3)C(=S)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C25H30N4O3S/c1-17-4-5-22(29(31)32)21(15-17)23(30)28-11-8-25(16-28)6-9-27(10-7-25)24(33)26-20-13-18(2)12-19(3)14-20/h4-5,12-15H,6-11,16H2,1-3H3,(H,26,33)