N-(2-methyl-6-propan-2-yl-phenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-8-(1-oxo-4-phenoxybutyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-8-(4-phenoxybutanoyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C29H39N3O2S MolecularWeight: 493.70386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)CCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=S)N2CCC3(C2)CCN(CC3)C(=O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C29H39N3O2S/c1-22(2)25-12-7-9-23(3)27(25)30-28(35)32-19-16-29(21-32)14-17-31(18-15-29)26(33)13-8-20-34-24-10-5-4-6-11-24/h4-7,9-12,22H,8,13-21H2,1-3H3,(H,30,35)