5-chloranyl-2-methoxy-3-octan-3-yl-benzenecarbothioamide

Systemtic Name: 5-chloranyl-2-methoxy-3-octan-3-yl-benzenecarbothioamide Openeye Name: 5-chloro-3-(1-ethylhexyl)-2-methoxy-benzenecarbothioamide CAS Name: 5-chloro-2-methoxy-3-octan-3-ylbenzenecarbothioamide IUPAC Name: 5-chloro-2-methoxy-3-octan-3-ylbenzenecarbothioamide Traditional Name: 5-chloro-3-(1-ethylhexyl)-2-methoxy-thiobenzamide Formula: C16H24ClNOS MolecularWeight: 313.88586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=CC(=C1)Cl)C(=S)N)OC

Isomeric SMILES

CCCCCC(CC)C1=C(C(=CC(=C1)Cl)C(=S)N)OC

InChI

InChI=1S/C16H24ClNOS/c1-4-6-7-8-11(5-2)13-9-12(17)10-14(16(18)20)15(13)19-3/h9-11H,4-8H2,1-3H3,(H2,18,20)