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

Systemtic Name: N-(3,5-dimethoxyphenyl)-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-8-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-8-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H29N3O3S/c1-31-22-16-21(17-23(18-22)32-2)27-25(33)29-15-12-26(19-29)10-13-28(14-11-26)24(30)9-8-20-6-4-3-5-7-20/h3-7,16-18H,10-15,19H2,1-2H3,(H,27,33)