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

Systemtic Name: 2-[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(phenylmethyl)pentanamide Openeye Name: N-benzyl-2-[2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-pentanamide CAS Name: 2-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]thio]-N-(phenylmethyl)pentanamide IUPAC Name: N-benzyl-2-[2-(4-methyl-2-nitroanilino)-2-oxoethyl]sulfanylpentanamide Traditional Name: N-benzyl-2-[[2-keto-2-(4-methyl-2-nitro-anilino)ethyl]thio]valeramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC1=CC=CC=C1)SCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)NCC1=CC=CC=C1)SCC(=O)NC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-3-7-19(21(26)22-13-16-8-5-4-6-9-16)29-14-20(25)23-17-11-10-15(2)12-18(17)24(27)28/h4-6,8-12,19H,3,7,13-14H2,1-2H3,(H,22,26)(H,23,25)