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

Systemtic Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-phenyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[N-[(3,5-dimethylisoxazol-4-yl)methyl]anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[N-[(3,5-dimethyl-4-isoxazolyl)methyl]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[N-[(3,5-dimethylisoxazol-4-yl)methyl]anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CN(C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-13-17(14(2)30-23-13)11-24(16-6-4-3-5-7-16)20(26)12-31-19-9-8-15(21(22)27)10-18(19)25(28)29/h3-10H,11-12H2,1-2H3,(H2,22,27)