N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H14ClN3O2S2 MolecularWeight: 439.93776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H14ClN3O2S2/c22-14-6-7-17(16(10-14)19(27)13-4-2-1-3-5-13)25-18(26)11-29-21-15-8-9-28-20(15)23-12-24-21/h1-10,12H,11H2,(H,25,26)