7,7-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,6-dihydro-2-benzothiophene-1-carbothioamide

Systemtic Name: 7,7-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,6-dihydro-2-benzothiophene-1-carbothioamide Openeye Name: 7,7-dimethyl-3-methylsulfanyl-4-oxo-5,6-dihydro-2-benzothiophene-1-carbothioamide CAS Name: 7,7-dimethyl-3-(methylthio)-4-oxo-5,6-dihydro-2-benzothiophene-1-carbothioamide IUPAC Name: 7,7-dimethyl-3-methylsulfanyl-4-oxo-5,6-dihydro-2-benzothiophene-1-carbothioamide Traditional Name: 4-keto-7,7-dimethyl-3-(methylthio)-5,6-dihydroisobenzothiophene-1-carbothioamide Formula: C12H15NOS3 MolecularWeight: 285.4486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C(SC(=C21)C(=S)N)SC)C

Isomeric SMILES

CC1(CCC(=O)C2=C(SC(=C21)C(=S)N)SC)C

InChI

InChI=1S/C12H15NOS3/c1-12(2)5-4-6(14)7-8(12)9(10(13)15)17-11(7)16-3/h4-5H2,1-3H3,(H2,13,15)