2-[[3-(4-bromophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[[3-(4-bromophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C22H20BrN3O2S2 MolecularWeight: 502.4471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SCC3)C

InChI

InChI=1S/C22H20BrN3O2S2/c1-13-9-14(2)11-16(10-13)24-19(27)12-30-22-25-18-7-8-29-20(18)21(28)26(22)17-5-3-15(23)4-6-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,24,27)