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

Systemtic Name: 3-hex-2-ynoyl-N-(3-methoxyphenyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: 3-hex-2-ynoyl-N-(3-methoxyphenyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3-methoxyphenyl)-3-(1-oxohex-2-ynyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: 3-hex-2-ynoyl-N-(3-methoxyphenyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: 3-hex-2-ynoyl-N-(3-methoxyphenyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)N1CCC2(C1)CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC#CC(=O)N1CCC2(C1)CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29N3O2S/c1-3-4-5-9-20(26)25-15-12-22(17-25)10-13-24(14-11-22)21(28)23-18-7-6-8-19(16-18)27-2/h6-8,16H,3-4,10-15,17H2,1-2H3,(H,23,28)