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

Systemtic Name: 4-chloranyl-N-[1-[2-(4-fluorophenyl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[[(4-fluorobenzoyl)amino]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[[(4-fluorophenyl)-oxomethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[(4-fluorobenzoyl)amino]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H18ClFN4O5S MolecularWeight: 468.886423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClFN4O5S/c1-31-9-8-15(19(28)24-23-18(27)11-2-5-13(21)6-3-11)22-17(26)12-4-7-14(20)16(10-12)25(29)30/h2-7,10,15H,8-9H2,1H3,(H,22,26)(H,23,27)(H,24,28)