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

Systemtic Name: (2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-propan-2-yl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-N-ethyl-1-isopropyl-4-[(4-methylsulfanylphenyl)methylamino]pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-ethyl-4-[[4-(methylthio)phenyl]methylamino]-1-propan-2-yl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2-carboxamide Traditional Name: (2S,4S)-N-ethyl-1-isopropyl-4-[[4-(methylthio)benzyl]amino]pyrrolidine-2-carboxamide Formula: C18H29N3OS MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3OS/c1-5-19-18(22)17-10-15(12-21(17)13(2)3)20-11-14-6-8-16(23-4)9-7-14/h6-9,13,15,17,20H,5,10-12H2,1-4H3,(H,19,22)/t15-,17-/m0/s1