8-(3-methoxyphenyl)carbonyl-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide

Systemtic Name: 8-(3-methoxyphenyl)carbonyl-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: 8-(3-methoxybenzoyl)-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: 8-[(3-methoxyphenyl)-oxomethyl]-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: 8-(3-methoxybenzoyl)-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-m-anisoyl-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1CSC2(N1)CCN(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC(C)CNC(=O)C1CSC2(N1)CCN(CC2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H31N3O3S/c1-4-15(2)13-22-19(25)18-14-28-21(23-18)8-10-24(11-9-21)20(26)16-6-5-7-17(12-16)27-3/h5-7,12,15,18,23H,4,8-11,13-14H2,1-3H3,(H,22,25)