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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-[(2-methoxyphenyl)methyl]-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-[(2-methoxyphenyl)methyl]-8-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-o-anisyl-8-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=S)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CNC(=S)N2CCC3(C2)CCN(CC3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-31-23-10-6-5-9-22(23)19-27-25(32)29-18-15-26(20-29)13-16-28(17-14-26)24(30)12-11-21-7-3-2-4-8-21/h2-10H,13-20H2,1H3,(H,27,32)