2-(3,4-dichlorophenyl)-N-[(1S)-1-(4-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(4-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-ethanamide Openeye Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(4-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide CAS Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(4-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]-N-methylacetamide IUPAC Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(4-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide Traditional Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(4-isothiocyanatophenyl)-2-pyrrolidino-ethyl]-N-methyl-acetamide Formula: C22H23Cl2N3OS MolecularWeight: 448.40852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2N3OS/c1-26(22(28)13-16-4-9-19(23)20(24)12-16)21(14-27-10-2-3-11-27)17-5-7-18(8-6-17)25-15-29/h4-9,12,21H,2-3,10-11,13-14H2,1H3/t21-/m1/s1