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

Systemtic Name: 2-[5-(4-methylphenyl)-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-oxo-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-keto-3-phenyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C29H25N3O2S2 MolecularWeight: 511.6577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O2S2/c1-20-12-14-22(15-13-20)24-18-35-27-26(24)28(34)32(23-10-6-3-7-11-23)29(31-27)36-19-25(33)30-17-16-21-8-4-2-5-9-21/h2-15,18H,16-17,19H2,1H3,(H,30,33)