N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C25H20N4O5S MolecularWeight: 488.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H20N4O5S/c1-16-15-22(28-34-16)27-25(31)23(17-5-3-2-4-6-17)35-21-13-9-19(10-14-21)26-24(30)18-7-11-20(12-8-18)29(32)33/h2-15,23H,1H3,(H,26,30)(H,27,28,31)