N-(4-acetamidophenyl)-3-methyl-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide

Systemtic Name: N-(4-acetamidophenyl)-3-methyl-2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-butanamide Openeye Name: N-(4-acetamidophenyl)-3-methyl-2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-butanamide CAS Name: N-(4-acetamidophenyl)-3-methyl-2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]butanamide IUPAC Name: N-(4-acetamidophenyl)-3-methyl-2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanylbutanamide Traditional Name: N-(4-acetamidophenyl)-2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]-3-methyl-butyramide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC(C(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-13(2)21(22(29)24-17-8-6-16(7-9-17)23-15(4)27)32-12-20(28)25-18-10-5-14(3)11-19(18)26(30)31/h5-11,13,21H,12H2,1-4H3,(H,23,27)(H,24,29)(H,25,28)