2-butoxy-5-methylsulfonyl-benzenecarbothioamide

Systemtic Name: 2-butoxy-5-methylsulfonyl-benzenecarbothioamide Openeye Name: 2-butoxy-5-methylsulfonyl-benzenecarbothioamide CAS Name: 2-butoxy-5-methylsulfonylbenzenecarbothioamide IUPAC Name: 2-butoxy-5-methylsulfonylbenzenecarbothioamide Traditional Name: 2-butoxy-5-mesyl-thiobenzamide Formula: C12H17NO3S2 MolecularWeight: 287.39828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C(=S)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C)C(=S)N

InChI

InChI=1S/C12H17NO3S2/c1-3-4-7-16-11-6-5-9(18(2,14)15)8-10(11)12(13)17/h5-6,8H,3-4,7H2,1-2H3,(H2,13,17)