N-(3,5-dimethylphenyl)-3-hex-2-ynoyl-3,8-diazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-hex-2-ynoyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-3-hex-2-ynoyl-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-3-(1-oxohex-2-ynyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-3-hex-2-ynoyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-3-hex-2-ynoyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)N1CCC2(C1)CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCC#CC(=O)N1CCC2(C1)CCN(CC2)C(=S)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H31N3OS/c1-4-5-6-7-21(27)26-13-10-23(17-26)8-11-25(12-9-23)22(28)24-20-15-18(2)14-19(3)16-20/h14-16H,4-5,8-13,17H2,1-3H3,(H,24,28)