3-bromanyl-4-butoxy-5-ethoxy-benzenecarbothioamide

Systemtic Name: 3-bromanyl-4-butoxy-5-ethoxy-benzenecarbothioamide Openeye Name: 3-bromo-4-butoxy-5-ethoxy-benzenecarbothioamide CAS Name: 3-bromo-4-butoxy-5-ethoxybenzenecarbothioamide IUPAC Name: 3-bromo-4-butoxy-5-ethoxybenzenecarbothioamide Traditional Name: 3-bromo-4-butoxy-5-ethoxy-thiobenzamide Formula: C13H18BrNO2S MolecularWeight: 332.25652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C(=S)N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C(=S)N)OCC

InChI

InChI=1S/C13H18BrNO2S/c1-3-5-6-17-12-10(14)7-9(13(15)18)8-11(12)16-4-2/h7-8H,3-6H2,1-2H3,(H2,15,18)