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

Systemtic Name: 4-chloranyl-N-[1-[2-(4-ethoxyphenyl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[[(4-ethoxybenzoyl)amino]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[[(4-ethoxyphenyl)-oxomethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[(4-ethoxybenzoyl)amino]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C21H23ClN4O6S MolecularWeight: 494.94852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O6S/c1-3-32-15-7-4-13(5-8-15)20(28)24-25-21(29)17(10-11-33-2)23-19(27)14-6-9-16(22)18(12-14)26(30)31/h4-9,12,17H,3,10-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)