3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbothioamide

Systemtic Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbothioamide Openeye Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide CAS Name: 3-(2-hydroxyethylthio)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide IUPAC Name: 3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide Traditional Name: 3-(2-hydroxyethylthio)-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbothioamide Formula: C13H17NO2S3 MolecularWeight: 315.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C(=S)N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)SCCO)C(=S)N)C

InChI

InChI=1S/C13H17NO2S3/c1-13(2)5-7-9(8(16)6-13)12(18-4-3-15)19-10(7)11(14)17/h15H,3-6H2,1-2H3,(H2,14,17)