(2R)-1-[(4-nitrophenyl)carbamothioyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-[(4-nitrophenyl)carbamothioyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-[(4-nitrophenyl)carbamothioyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[(4-nitroanilino)-sulfanylidenemethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-[(4-nitrophenyl)carbamothioyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-[(4-nitrophenyl)thiocarbamoyl]pyrrolidine-2-carboxamide Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C12H14N4O3S/c13-11(17)10-2-1-7-15(10)12(20)14-8-3-5-9(6-4-8)16(18)19/h3-6,10H,1-2,7H2,(H2,13,17)(H,14,20)/t10-/m1/s1