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

Systemtic Name: (2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-propan-2-yl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-isopropyl-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-N-methyl-4-[[4-(methylthio)phenyl]methylamino]-1-propan-2-yl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-N-methyl-4-[(4-methylsulfanylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-isopropyl-N-methyl-4-[[4-(methylthio)benzyl]amino]pyrrolidine-2-carboxamide Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1C(=O)NC)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)N1C[C@@H](C[C@H]1C(=O)NC)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H27N3OS/c1-12(2)20-11-14(9-16(20)17(21)18-3)19-10-13-5-7-15(22-4)8-6-13/h5-8,12,14,16,19H,9-11H2,1-4H3,(H,18,21)/t14-,16+/m1/s1