4-[2-[[4-(furan-2-ylmethylcarbamoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-(furan-2-ylmethylcarbamoylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(2-furylmethylcarbamoylamino)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[[(2-furanylmethylamino)-oxomethyl]amino]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-(2-furfurylcarbamoylamino)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H19N5O6S MolecularWeight: 469.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6S/c22-20(28)13-3-8-18(17(10-13)26(30)31)33-12-19(27)24-14-4-6-15(7-5-14)25-21(29)23-11-16-2-1-9-32-16/h1-10H,11-12H2,(H2,22,28)(H,24,27)(H2,23,25,29)