2-azanyl-N,3-dimethyl-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide

Systemtic Name: 2-azanyl-N,3-dimethyl-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide Openeye Name: 2-amino-N,3-dimethyl-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide CAS Name: 2-amino-N-[(4-mercapto-2-pyrrolidinyl)methyl]-N,3-dimethylpentanamide IUPAC Name: 2-amino-N,3-dimethyl-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide Traditional Name: 2-amino-N-[(4-mercaptopyrrolidin-2-yl)methyl]-N,3-dimethyl-valeramide Formula: C12H25N3OS MolecularWeight: 259.4114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C)CC1CC(CN1)S)N

Isomeric SMILES

CCC(C)C(C(=O)N(C)CC1CC(CN1)S)N

InChI

InChI=1S/C12H25N3OS/c1-4-8(2)11(13)12(16)15(3)7-9-5-10(17)6-14-9/h8-11,14,17H,4-7,13H2,1-3H3