3-bromanyl-4-butoxy-5-methoxy-benzenecarbothioamide

Systemtic Name: 3-bromanyl-4-butoxy-5-methoxy-benzenecarbothioamide Openeye Name: 3-bromo-4-butoxy-5-methoxy-benzenecarbothioamide CAS Name: 3-bromo-4-butoxy-5-methoxybenzenecarbothioamide IUPAC Name: 3-bromo-4-butoxy-5-methoxybenzenecarbothioamide Traditional Name: 3-bromo-4-butoxy-5-methoxy-thiobenzamide Formula: C12H16BrNO2S MolecularWeight: 318.22994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO2S/c1-3-4-5-16-11-9(13)6-8(12(14)17)7-10(11)15-2/h6-7H,3-5H2,1-2H3,(H2,14,17)