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

Systemtic Name: (2S,4R)-4-[(4-methylsulfanylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-N,1-diisopropyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-[[4-(methylthio)phenyl]methylamino]-N,1-di(propan-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-[(4-methylsulfanylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N,1-diisopropyl-4-[[4-(methylthio)benzyl]amino]pyrrolidine-2-carboxamide Formula: C19H31N3OS MolecularWeight: 349.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC(CN1C(C)C)NCC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)NC(=O)[C@@H]1C[C@H](CN1C(C)C)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C19H31N3OS/c1-13(2)21-19(23)18-10-16(12-22(18)14(3)4)20-11-15-6-8-17(24-5)9-7-15/h6-9,13-14,16,18,20H,10-12H2,1-5H3,(H,21,23)/t16-,18+/m1/s1