N-[4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[4-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-keto-1-methyl-2-(4-nitroanilino)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)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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