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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(2-phenylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(2-phenylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(1-oxo-2-phenylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(2-phenylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-(2-phenylbutanoyl)-N-piperonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O4S/c1-2-20(19-6-4-3-5-7-19)25(31)29-12-10-26(11-13-29)28-21(16-34-26)24(30)27-15-18-8-9-22-23(14-18)33-17-32-22/h3-9,14,20-21,28H,2,10-13,15-17H2,1H3,(H,27,30)