N-(1,3-benzodioxol-5-ylmethyl)-8-(4-pentylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-pentylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-pentylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-[oxo-(4-pentylphenyl)methyl]-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-pentylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-(4-amylbenzoyl)-N-piperonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H35N3O4S/c1-2-3-4-5-20-6-9-22(10-7-20)27(33)31-14-12-28(13-15-31)30-23(18-36-28)26(32)29-17-21-8-11-24-25(16-21)35-19-34-24/h6-11,16,23,30H,2-5,12-15,17-19H2,1H3,(H,29,32)