N-(4-bromophenyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-oxo-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[5-(4-methylphenyl)-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[4-keto-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C27H20BrN3O2S2 MolecularWeight: 562.5006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C27H20BrN3O2S2/c1-17-7-9-18(10-8-17)22-15-34-25-24(22)26(33)31(21-5-3-2-4-6-21)27(30-25)35-16-23(32)29-20-13-11-19(28)12-14-20/h2-15H,16H2,1H3,(H,29,32)