N-(1-phenylethyl)-8-(3-phenylprop-2-ynoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3OS/c1-21(23-10-6-3-7-11-23)27-25(31)29-19-16-26(20-29)14-17-28(18-15-26)24(30)13-12-22-8-4-2-5-9-22/h2-11,21H,14-20H2,1H3,(H,27,31)