6-(butylamino)-N-(dimethylaminomethylidene)-2-fluoranyl-3-nitro-benzenecarbothioamide

Systemtic Name: 6-(butylamino)-N-(dimethylaminomethylidene)-2-fluoranyl-3-nitro-benzenecarbothioamide Openeye Name: 6-(butylamino)-N-(dimethylaminomethylene)-2-fluoro-3-nitro-benzenecarbothioamide CAS Name: 6-(butylamino)-N-(dimethylaminomethylidene)-2-fluoro-3-nitrobenzenecarbothioamide IUPAC Name: 6-(butylamino)-N-(dimethylaminomethylidene)-2-fluoro-3-nitrobenzenecarbothioamide Traditional Name: 6-(butylamino)-N-(dimethylaminomethylene)-2-fluoro-3-nitro-thiobenzamide Formula: C14H19FN4O2S MolecularWeight: 326.389663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=C(C=C1)[N+](=O)[O-])F)C(=S)N=CN(C)C

Isomeric SMILES

CCCCNC1=C(C(=C(C=C1)[N+](=O)[O-])F)C(=S)N=CN(C)C

InChI

InChI=1S/C14H19FN4O2S/c1-4-5-8-16-10-6-7-11(19(20)21)13(15)12(10)14(22)17-9-18(2)3/h6-7,9,16H,4-5,8H2,1-3H3