N-(4-methylsulfanylphenyl)-6-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-6-azaspiro[2.5]octane-2-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-6-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-6-azaspiro[2.5]octane-2-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide CAS Name: N-[4-(methylthio)phenyl]-6-[oxo-[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide Traditional Name: 6-[3-(2-ketopyrrolidino)benzoyl]-N-[4-(methylthio)phenyl]-6-azaspiro[2.5]octane-2-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CC23CCN(CC3)C(=O)C4=CC(=CC=C4)N5CCCC5=O

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2CC23CCN(CC3)C(=O)C4=CC(=CC=C4)N5CCCC5=O

InChI

InChI=1S/C26H29N3O3S/c1-33-21-9-7-19(8-10-21)27-24(31)22-17-26(22)11-14-28(15-12-26)25(32)18-4-2-5-20(16-18)29-13-3-6-23(29)30/h2,4-5,7-10,16,22H,3,6,11-15,17H2,1H3,(H,27,31)