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

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)-5,7-dihydro-2-benzothiophene-1-carbothioamide Openeye Name: 3-benzyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide CAS Name: 6,6-dimethyl-4-oxo-3-(phenylmethyl)-5,7-dihydro-2-benzothiophene-1-carbothioamide IUPAC Name: 3-benzyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbothioamide Traditional Name: 3-benzyl-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbothioamide Formula: C18H19NOS2 MolecularWeight: 329.47956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)CC3=CC=CC=C3)C(=S)N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)CC3=CC=CC=C3)C(=S)N)C

InChI

InChI=1S/C18H19NOS2/c1-18(2)9-12-15(13(20)10-18)14(22-16(12)17(19)21)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,19,21)