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

Systemtic Name: 6-(butylamino)-N-(dimethylaminomethylidene)-3-nitro-2-(2-phenylethenyl)benzenecarbothioamide Openeye Name: 6-(butylamino)-N-(dimethylaminomethylene)-3-nitro-2-styryl-benzenecarbothioamide CAS Name: 6-(butylamino)-N-(dimethylaminomethylidene)-3-nitro-2-(2-phenylethenyl)benzenecarbothioamide IUPAC Name: 6-(butylamino)-N-(dimethylaminomethylidene)-3-nitro-2-(2-phenylethenyl)benzenecarbothioamide Traditional Name: 6-(butylamino)-N-(dimethylaminomethylene)-3-nitro-2-styryl-thiobenzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=C(C=C1)[N+](=O)[O-])C=CC2=CC=CC=C2)C(=S)N=CN(C)C

Isomeric SMILES

CCCCNC1=C(C(=C(C=C1)[N+](=O)[O-])C=CC2=CC=CC=C2)C(=S)N=CN(C)C

InChI

InChI=1S/C22H26N4O2S/c1-4-5-15-23-19-13-14-20(26(27)28)18(12-11-17-9-7-6-8-10-17)21(19)22(29)24-16-25(2)3/h6-14,16,23H,4-5,15H2,1-3H3