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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(3-methylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(3-methylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(3-methyl-1-oxobutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(3-methylbutanoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-isovaleryl-N-piperonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2(CC1)NC(CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CC(=O)N1CCC2(CC1)NC(CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H29N3O4S/c1-14(2)9-19(25)24-7-5-21(6-8-24)23-16(12-29-21)20(26)22-11-15-3-4-17-18(10-15)28-13-27-17/h3-4,10,14,16,23H,5-9,11-13H2,1-2H3,(H,22,26)