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

Systemtic Name: 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbothioamide Openeye Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide IUPAC Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydroisobenzothiophene-1-carbothioamide Formula: C12H15NOS2 MolecularWeight: 253.3836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)C(=S)N)CC(CC2=O)(C)C

Isomeric SMILES

CC1=C2C(=C(S1)C(=S)N)CC(CC2=O)(C)C

InChI

InChI=1S/C12H15NOS2/c1-6-9-7(10(16-6)11(13)15)4-12(2,3)5-8(9)14/h4-5H2,1-3H3,(H2,13,15)