N-(3-methoxyphenyl)-3-(2-phenylcyclopropyl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-3-(2-phenylcyclopropyl)carbonyl-3,8-diazaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(3-methoxyphenyl)-3-(2-phenylcyclopropanecarbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide CAS Name: N-(3-methoxyphenyl)-3-[oxo-(2-phenylcyclopropyl)methyl]-3,8-diazaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(3-methoxyphenyl)-3-(2-phenylcyclopropanecarbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(3-methoxyphenyl)-3-(2-phenylcyclopropanecarbonyl)-3,8-diazaspiro[4.5]decane-8-carbothioamide Formula: C26H31N3O2S MolecularWeight: 449.60824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CCN(C3)C(=O)C4CC4C5=CC=CC=C5

InChI

InChI=1S/C26H31N3O2S/c1-31-21-9-5-8-20(16-21)27-25(32)28-13-10-26(11-14-28)12-15-29(18-26)24(30)23-17-22(23)19-6-3-2-4-7-19/h2-9,16,22-23H,10-15,17-18H2,1H3,(H,27,32)