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

Systemtic Name: N-[4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]phenyl]-3-nitro-benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-12-10-18(23-29-12)22-19(25)13(2)30-17-8-6-15(7-9-17)21-20(26)14-4-3-5-16(11-14)24(27)28/h3-11,13H,1-2H3,(H,21,26)(H,22,23,25)