N-[[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]carbamothioyl]furan-2-carboxamide Openeye Name: N-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)carbamothioyl]furan-2-carboxamide CAS Name: N-[[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)carbamothioyl]furan-2-carboxamide Traditional Name: N-[(2-nitro-4-pyrrolidinosulfonyl-anilino)thiocarbamoyl]-2-furamide Formula: C16H17N5O6S2 MolecularWeight: 439.46608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O6S2/c22-15(14-4-3-9-27-14)17-16(28)19-18-12-6-5-11(10-13(12)21(23)24)29(25,26)20-7-1-2-8-20/h3-6,9-10,18H,1-2,7-8H2,(H2,17,19,22,28)