2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)benzamide

Systemtic Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)benzamide Openeye Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)benzamide CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-N-(4-methylsulfonylphenyl)benzamide IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)benzamide Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-N-(4-mesylphenyl)benzamide Formula: C22H19N3O3S3 MolecularWeight: 469.59956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C22H19N3O3S3/c1-13-14(2)29-21-19(13)22(24-12-23-21)30-18-7-5-4-6-17(18)20(26)25-15-8-10-16(11-9-15)31(3,27)28/h4-12H,1-3H3,(H,25,26)