4-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-benzamide Openeye Name: 4-[2-(butylamino)-2-oxo-ethyl]sulfanyl-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide CAS Name: 4-[[2-(butylamino)-2-oxoethyl]thio]-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide IUPAC Name: 4-[2-(butylamino)-2-oxoethyl]sulfanyl-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide Traditional Name: 4-[[2-(butylamino)-2-keto-ethyl]thio]-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide Formula: C19H19ClFN3O4S MolecularWeight: 439.888263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClFN3O4S/c1-2-3-8-22-18(25)11-29-17-7-4-12(9-16(17)24(27)28)19(26)23-15-6-5-13(20)10-14(15)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,25)(H,23,26)