N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[[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(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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