5-bromanyl-3-methoxy-2-pentoxy-benzenecarbothioamide

Systemtic Name: 5-bromanyl-3-methoxy-2-pentoxy-benzenecarbothioamide Openeye Name: 5-bromo-3-methoxy-2-pentoxy-benzenecarbothioamide CAS Name: 5-bromo-3-methoxy-2-pentoxybenzenecarbothioamide IUPAC Name: 5-bromo-3-methoxy-2-pentoxybenzenecarbothioamide Traditional Name: 2-amoxy-5-bromo-3-methoxy-thiobenzamide Formula: C13H18BrNO2S MolecularWeight: 332.25652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1C(=S)N)Br)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1C(=S)N)Br)OC

InChI

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