N-(4-acetamidophenyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide Openeye Name: N-(4-acetamidophenyl)-2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-pentanamide CAS Name: N-(4-acetamidophenyl)-2-[[2-(2-nitroanilino)-2-oxoethyl]thio]pentanamide IUPAC Name: N-(4-acetamidophenyl)-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanylpentanamide Traditional Name: N-(4-acetamidophenyl)-2-[[2-keto-2-(2-nitroanilino)ethyl]thio]valeramide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-3-6-19(21(28)23-16-11-9-15(10-12-16)22-14(2)26)31-13-20(27)24-17-7-4-5-8-18(17)25(29)30/h4-5,7-12,19H,3,6,13H2,1-2H3,(H,22,26)(H,23,28)(H,24,27)