3-fluoranyl-4-(pentylamino)benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-(pentylamino)benzenecarbothioamide Openeye Name: 3-fluoro-4-(pentylamino)benzenecarbothioamide CAS Name: 3-fluoro-4-(pentylamino)benzenecarbothioamide IUPAC Name: 3-fluoro-4-(pentylamino)benzenecarbothioamide Traditional Name: 4-(amylamino)-3-fluoro-thiobenzamide Formula: C12H17FN2S MolecularWeight: 240.340183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=C(C=C1)C(=S)N)F

Isomeric SMILES

CCCCCNC1=C(C=C(C=C1)C(=S)N)F

InChI

InChI=1S/C12H17FN2S/c1-2-3-4-7-15-11-6-5-9(12(14)16)8-10(11)13/h5-6,8,15H,2-4,7H2,1H3,(H2,14,16)