3-bromanyl-4-pentoxy-benzenecarbothioamide

Systemtic Name: 3-bromanyl-4-pentoxy-benzenecarbothioamide Openeye Name: 3-bromo-4-pentoxy-benzenecarbothioamide CAS Name: 3-bromo-4-pentoxybenzenecarbothioamide IUPAC Name: 3-bromo-4-pentoxybenzenecarbothioamide Traditional Name: 4-amoxy-3-bromo-thiobenzamide Formula: C12H16BrNOS MolecularWeight: 302.23054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=S)N)Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=S)N)Br

InChI

InChI=1S/C12H16BrNOS/c1-2-3-4-7-15-11-6-5-9(12(14)16)8-10(11)13/h5-6,8H,2-4,7H2,1H3,(H2,14,16)