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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-nitro-4-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-benzamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-3-nitro-4-[2-oxo-2-(pentylamino)ethyl]sulfanyl-benzamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[[2-oxo-2-(pentylamino)ethyl]thio]benzamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-3-nitro-4-[2-oxo-2-(pentylamino)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-(amylamino)-2-keto-ethyl]thio]-N-(4-chloro-2-fluoro-phenyl)-3-nitro-benzamide Formula: C20H21ClFN3O4S MolecularWeight: 453.914843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3O4S/c1-2-3-4-9-23-19(26)12-30-18-8-5-13(10-17(18)25(28)29)20(27)24-16-7-6-14(21)11-15(16)22/h5-8,10-11H,2-4,9,12H2,1H3,(H,23,26)(H,24,27)