N-(2-bromanyl-4-fluoranyl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-bromo-4-fluoro-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(2-bromo-4-fluorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-bromo-4-fluorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-bromo-4-fluoro-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carbothioamide Formula: C19H17BrF4N4O2S MolecularWeight: 521.326493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrF4N4O2S/c20-14-11-13(21)3-4-15(14)25-18(31)27-7-1-6-26(8-9-27)16-5-2-12(19(22,23)24)10-17(16)28(29)30/h2-5,10-11H,1,6-9H2,(H,25,31)