3-nitro-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S/c24-16-6-4-12(22(26)27)10-13(16)19-18(30)20-17(25)11-3-5-14(15(9-11)23(28)29)21-7-1-2-8-21/h3-6,9-10,24H,1-2,7-8H2,(H2,19,20,25,30)