(2S)-1-[(2-chlorophenyl)methylcarbamothioyl]-N-[(2S)-1-[2-(1H-indol-3-yl)ethyl-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2-chlorophenyl)methylcarbamothioyl]-N-[(2S)-1-[2-(1H-indol-3-yl)ethyl-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-[2-(1H-indol-3-yl)ethyl-methyl-amino]-2-oxo-ethyl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]-N-[(2S)-1-[2-(1H-indol-3-yl)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2-chlorophenyl)methylcarbamothioyl]-N-[(2S)-1-[2-(1H-indol-3-yl)ethyl-methylamino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-[2-(1H-indol-3-yl)ethyl-methyl-amino]-2-keto-ethyl]-1-[(2-chlorobenzyl)thiocarbamoyl]pyrrolidine-2-carboxamide Formula: C33H36ClN5O2S MolecularWeight: 602.18924

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CNC2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=S)NCC5=CC=CC=C5Cl

Isomeric SMILES

CN(CCC1=CNC2=CC=CC=C21)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=S)NCC5=CC=CC=C5Cl

InChI

InChI=1S/C33H36ClN5O2S/c1-38(19-17-24-21-35-28-15-8-6-13-26(24)28)32(41)29(20-23-10-3-2-4-11-23)37-31(40)30-16-9-18-39(30)33(42)36-22-25-12-5-7-14-27(25)34/h2-8,10-15,21,29-30,35H,9,16-20,22H2,1H3,(H,36,42)(H,37,40)/t29-,30-/m0/s1