(2S)-1-[(2-aminophenyl)methylcarbamothioyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2-aminophenyl)methylcarbamothioyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2-aminophenyl)methylcarbamothioyl]-N-benzhydryl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[(2-aminophenyl)methylamino]-sulfanylidenemethyl]-N-(diphenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2-aminophenyl)methylcarbamothioyl]-N-benzhydrylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2-aminobenzyl)thiocarbamoyl]-N-benzhydryl-pyrrolidine-2-carboxamide Formula: C26H28N4OS MolecularWeight: 444.59172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=CC=C2N)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=S)NCC2=CC=CC=C2N)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4OS/c27-22-15-8-7-14-21(22)18-28-26(32)30-17-9-16-23(30)25(31)29-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-15,23-24H,9,16-18,27H2,(H,28,32)(H,29,31)/t23-/m0/s1