3-methyl-N-(naphthalen-1-ylmethyl)-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]butanamide

Systemtic Name: 3-methyl-N-(naphthalen-1-ylmethyl)-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]butanamide Openeye Name: 3-methyl-N-(1-naphthylmethyl)-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]butanamide CAS Name: N-[[(2S,4S)-4-mercapto-2-pyrrolidinyl]methyl]-3-methyl-N-(1-naphthalenylmethyl)butanamide IUPAC Name: 3-methyl-N-(naphthalen-1-ylmethyl)-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]butanamide Traditional Name: N-[[(2S,4S)-4-mercaptopyrrolidin-2-yl]methyl]-3-methyl-N-(1-naphthylmethyl)butyramide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC1CC(CN1)S)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(=O)N(C[C@@H]1C[C@@H](CN1)S)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H28N2OS/c1-15(2)10-21(24)23(14-18-11-19(25)12-22-18)13-17-8-5-7-16-6-3-4-9-20(16)17/h3-9,15,18-19,22,25H,10-14H2,1-2H3/t18-,19-/m0/s1