(2S)-1-[(2-bromophenyl)methylcarbamothioyl]-N-[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2-bromophenyl)methylcarbamothioyl]-N-[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-benzyl-2-[benzyl(methyl)amino]-2-oxo-ethyl]-1-[(2-bromophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2-bromophenyl)methylamino]-sulfanylidenemethyl]-N-[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2-bromophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-[benzyl(methyl)amino]-2-keto-ethyl]-1-[(2-bromobenzyl)thiocarbamoyl]pyrrolidine-2-carboxamide Formula: C30H33BrN4O2S MolecularWeight: 593.57762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=S)NCC4=CC=CC=C4Br

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=S)NCC4=CC=CC=C4Br

InChI

InChI=1S/C30H33BrN4O2S/c1-34(21-23-13-6-3-7-14-23)29(37)26(19-22-11-4-2-5-12-22)33-28(36)27-17-10-18-35(27)30(38)32-20-24-15-8-9-16-25(24)31/h2-9,11-16,26-27H,10,17-21H2,1H3,(H,32,38)(H,33,36)/t26-,27-/m0/s1