3-bromanyl-5-methoxy-4-pentoxy-benzenecarbothioamide

Systemtic Name: 3-bromanyl-5-methoxy-4-pentoxy-benzenecarbothioamide Openeye Name: 3-bromo-5-methoxy-4-pentoxy-benzenecarbothioamide CAS Name: 3-bromo-5-methoxy-4-pentoxybenzenecarbothioamide IUPAC Name: 3-bromo-5-methoxy-4-pentoxybenzenecarbothioamide Traditional Name: 4-amoxy-3-bromo-5-methoxy-thiobenzamide Formula: C13H18BrNO2S MolecularWeight: 332.25652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C(=S)N)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)C(=S)N)OC

InChI

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