N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[3-[1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl]thio]phenyl]valeramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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