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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(2-methyl-4-nitro-phenyl)pentanamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(2-methyl-4-nitrophenyl)pentanamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methyl-4-nitrophenyl)pentanamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(2-methyl-4-nitro-phenyl)valeramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-5-19(29-13-20(25)22-16-8-6-14(2)7-9-16)21(26)23-18-11-10-17(24(27)28)12-15(18)3/h6-12,19H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)