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

Systemtic Name: (2S)-N-(diphenylmethyl)-1-[(2-nitrophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-benzhydryl-1-[(2-nitrophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(diphenylmethyl)-1-[[(2-nitrophenyl)methylamino]-sulfanylidenemethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-benzhydryl-1-[(2-nitrophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-benzhydryl-1-[(2-nitrobenzyl)thiocarbamoyl]pyrrolidine-2-carboxamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=CC=C2[N+](=O)[O-])C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=S)NCC2=CC=CC=C2[N+](=O)[O-])C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3S/c31-25(28-24(19-10-3-1-4-11-19)20-12-5-2-6-13-20)23-16-9-17-29(23)26(34)27-18-21-14-7-8-15-22(21)30(32)33/h1-8,10-15,23-24H,9,16-18H2,(H,27,34)(H,28,31)/t23-/m0/s1