4-(butylamino)-2-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 4-(butylamino)-2-(trifluoromethyl)benzenecarbothioamide Openeye Name: 4-(butylamino)-2-(trifluoromethyl)benzenecarbothioamide CAS Name: 4-(butylamino)-2-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 4-(butylamino)-2-(trifluoromethyl)benzenecarbothioamide Traditional Name: 4-(butylamino)-2-(trifluoromethyl)thiobenzamide Formula: C12H15F3N2S MolecularWeight: 276.32111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=C(C=C1)C(=S)N)C(F)(F)F

Isomeric SMILES

CCCCNC1=CC(=C(C=C1)C(=S)N)C(F)(F)F

InChI

InChI=1S/C12H15F3N2S/c1-2-3-6-17-8-4-5-9(11(16)18)10(7-8)12(13,14)15/h4-5,7,17H,2-3,6H2,1H3,(H2,16,18)