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

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[3-(phenylcarbamoylamino)phenyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[3-(phenylcarbamoylamino)anilino]ethyl]sulfanyl-benzamide CAS Name: 4-[[2-[3-[[anilino(oxo)methyl]amino]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[3-(phenylcarbamoylamino)anilino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[3-(phenylcarbamoylamino)anilino]ethyl]thio]-3-nitro-benzamide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5O5S/c23-21(29)14-9-10-19(18(11-14)27(31)32)33-13-20(28)24-16-7-4-8-17(12-16)26-22(30)25-15-5-2-1-3-6-15/h1-12H,13H2,(H2,23,29)(H,24,28)(H2,25,26,30)