6-(butylamino)-N-(dimethylaminomethylidene)-2,3-dinitro-benzenecarbothioamide

Systemtic Name: 6-(butylamino)-N-(dimethylaminomethylidene)-2,3-dinitro-benzenecarbothioamide Openeye Name: 6-(butylamino)-N-(dimethylaminomethylene)-2,3-dinitro-benzenecarbothioamide CAS Name: 6-(butylamino)-N-(dimethylaminomethylidene)-2,3-dinitrobenzenecarbothioamide IUPAC Name: 6-(butylamino)-N-(dimethylaminomethylidene)-2,3-dinitrobenzenecarbothioamide Traditional Name: 6-(butylamino)-N-(dimethylaminomethylene)-2,3-dinitro-thiobenzamide Formula: C14H19N5O4S MolecularWeight: 353.39676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5O4S/c1-4-5-8-15-10-6-7-11(18(20)21)13(19(22)23)12(10)14(24)16-9-17(2)3/h6-7,9,15H,4-5,8H2,1-3H3