N-(4-acetamidophenyl)-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide Openeye Name: N-(4-acetamidophenyl)-2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-pentanamide CAS Name: N-(4-acetamidophenyl)-2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]pentanamide IUPAC Name: N-(4-acetamidophenyl)-2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanylpentanamide Traditional Name: N-(4-acetamidophenyl)-2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]valeramide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)SCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-4-5-20(22(29)24-17-9-7-16(8-10-17)23-15(3)27)32-13-21(28)25-18-11-6-14(2)12-19(18)26(30)31/h6-12,20H,4-5,13H2,1-3H3,(H,23,27)(H,24,29)(H,25,28)