(2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-benzyl-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-methyl-4-[[4-(methylthio)phenyl]methylamino]-1-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-benzyl-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-benzyl-N-methyl-4-[[4-(methylthio)benzyl]amino]pyrrolidine-2-carboxamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC(CN1CC2=CC=CC=C2)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CNC(=O)[C@@H]1C[C@H](CN1CC2=CC=CC=C2)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H27N3OS/c1-22-21(25)20-12-18(15-24(20)14-17-6-4-3-5-7-17)23-13-16-8-10-19(26-2)11-9-16/h3-11,18,20,23H,12-15H2,1-2H3,(H,22,25)/t18-,20+/m1/s1