4-chloranyl-N-[1-(2-ethanoylhydrazinyl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-(2-ethanoylhydrazinyl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-(acetamidocarbamoyl)-3-methylsulfanyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: N-[1-(acetylhydrazo)-4-(methylthio)-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[1-(2-acetylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[1-(acetamidocarbamoyl)-3-(methylthio)propyl]-4-chloro-3-nitro-benzamide Formula: C14H17ClN4O5S MolecularWeight: 388.82658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NNC(=O)C(CCSC)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NNC(=O)C(CCSC)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN4O5S/c1-8(20)17-18-14(22)11(5-6-25-2)16-13(21)9-3-4-10(15)12(7-9)19(23)24/h3-4,7,11H,5-6H2,1-2H3,(H,16,21)(H,17,20)(H,18,22)