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

Systemtic Name: N-(3,5-dimethoxyphenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-8-(1-oxo-4-phenoxybutyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)CCCOC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)CCCOC4=CC=CC=C4)OC

InChI

InChI=1S/C27H35N3O4S/c1-32-23-17-21(18-24(19-23)33-2)28-26(35)30-15-12-27(20-30)10-13-29(14-11-27)25(31)9-6-16-34-22-7-4-3-5-8-22/h3-5,7-8,17-19H,6,9-16,20H2,1-2H3,(H,28,35)