N-(2-methylbutyl)-8-(4-pentylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide

Systemtic Name: N-(2-methylbutyl)-8-(4-pentylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: N-(2-methylbutyl)-8-(4-pentylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: N-(2-methylbutyl)-8-[oxo-(4-pentylphenyl)methyl]-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: N-(2-methylbutyl)-8-(4-pentylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-(4-amylbenzoyl)-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C25H39N3O2S MolecularWeight: 445.66106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCC(C)CC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCC(C)CC

InChI

InChI=1S/C25H39N3O2S/c1-4-6-7-8-20-9-11-21(12-10-20)24(30)28-15-13-25(14-16-28)27-22(18-31-25)23(29)26-17-19(3)5-2/h9-12,19,22,27H,4-8,13-18H2,1-3H3,(H,26,29)