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

Systemtic Name: N-(3,5-dimethylphenyl)-3-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-3-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-3-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-3-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-3-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C#CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C#CC4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3OS/c1-20-16-21(2)18-23(17-20)27-25(31)28-13-10-26(11-14-28)12-15-29(19-26)24(30)9-8-22-6-4-3-5-7-22/h3-7,16-18H,10-15,19H2,1-2H3,(H,27,31)