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

Systemtic Name: N-[4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[4-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]phenyl]valeramide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-3-4-5-19(24)21-15-6-9-17(10-7-15)28-13-20(25)22-18-11-8-16(23(26)27)12-14(18)2/h6-12H,3-5,13H2,1-2H3,(H,21,24)(H,22,25)