2-[4,5-bis(chloranyl)-2-isothiocyanato-phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-[4,5-bis(chloranyl)-2-isothiocyanato-phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide Openeye Name: 2-(4,5-dichloro-2-isothiocyanato-phenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]acetamide CAS Name: 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide Traditional Name: 2-(4,5-dichloro-2-isothiocyanato-phenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidino-ethyl]acetamide Formula: C22H23Cl2N3OS MolecularWeight: 448.40852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl

Isomeric SMILES

CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3OS/c1-26(21(14-27-9-5-6-10-27)16-7-3-2-4-8-16)22(28)12-17-11-18(23)19(24)13-20(17)25-15-29/h2-4,7-8,11,13,21H,5-6,9-10,12,14H2,1H3/t21-/m1/s1