2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide Openeye Name: 2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]acetamide CAS Name: 2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide Traditional Name: 2-(3-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidino-ethyl]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=CC=C3)N=C=S

Isomeric SMILES

CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=CC=C3)N=C=S

InChI

InChI=1S/C22H25N3OS/c1-24(22(26)15-18-8-7-11-20(14-18)23-17-27)21(16-25-12-5-6-13-25)19-9-3-2-4-10-19/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3/t21-/m1/s1