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

Systemtic Name: N-(3-methoxyphenyl)-3-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3-methoxyphenyl)-3-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3-methoxyphenyl)-3-(1-oxo-3-phenylprop-2-ynyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3-methoxyphenyl)-3-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3-methoxyphenyl)-3-(3-phenylpropioloyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S/c1-30-22-9-5-8-21(18-22)26-24(31)27-15-12-25(13-16-27)14-17-28(19-25)23(29)11-10-20-6-3-2-4-7-20/h2-9,18H,12-17,19H2,1H3,(H,26,31)