N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[[1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[[1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[1-(2-furfuryl)-5-keto-pyrrolidine-3-carbonyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H16N6O8S MolecularWeight: 476.42004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CO2)C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=CO2)C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O8S/c25-15-6-11(8-22(15)9-14-2-1-3-32-14)17(27)20-21-18(33)19-16(26)10-4-12(23(28)29)7-13(5-10)24(30)31/h1-5,7,11H,6,8-9H2,(H,20,27)(H2,19,21,26,33)