N-(2-bromanyl-4-nitro-phenyl)-2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]acetamide Formula: C18H19BrN4O4S MolecularWeight: 467.33686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H19BrN4O4S/c1-22(11-18(25)21-15-5-3-4-6-16(15)28-2)10-17(24)20-14-8-7-12(23(26)27)9-13(14)19/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,25)