N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide

Systemtic Name: N-[3-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[3-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[[2-keto-2-(2-methyl-5-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(=CC=C1)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-3-4-8-19(24)21-15-6-5-7-17(11-15)28-13-20(25)22-18-12-16(23(26)27)10-9-14(18)2/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,21,24)(H,22,25)