N-(3,5-dimethoxyphenyl)-8-(4-ethanoylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-8-(4-ethanoylphenyl)carbonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: 8-(4-acetylbenzoyl)-N-(3,5-dimethoxyphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: 8-[(4-acetylphenyl)-oxomethyl]-N-(3,5-dimethoxyphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: 8-(4-acetylbenzoyl)-N-(3,5-dimethoxyphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: 8-(4-acetylbenzoyl)-N-(3,5-dimethoxyphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C26H31N3O4S/c1-18(30)19-4-6-20(7-5-19)24(31)28-11-8-26(9-12-28)10-13-29(17-26)25(34)27-21-14-22(32-2)16-23(15-21)33-3/h4-7,14-16H,8-13,17H2,1-3H3,(H,27,34)