2-[3-(4-bromophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C22H18BrN3O2S2 MolecularWeight: 500.43122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Br)SC=C3

InChI

InChI=1S/C22H18BrN3O2S2/c23-16-6-8-17(9-7-16)26-21(28)20-18(11-13-29-20)25-22(26)30-14-19(27)24-12-10-15-4-2-1-3-5-15/h1-9,11,13H,10,12,14H2,(H,24,27)