5-chloranyl-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(phenylcarbonyl)-1-benzofuran-3-yl]-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(2-benzoylbenzofuran-3-yl)-5-chloro-2-isopropylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(2-benzoyl-3-benzofuranyl)-5-chloro-2-(propan-2-ylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(2-benzoyl-1-benzofuran-3-yl)-5-chloro-2-propan-2-ylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(2-benzoylbenzofuran-3-yl)-5-chloro-2-(isopropylthio)pyrimidine-4-carboxamide Formula: C23H18ClN3O3S MolecularWeight: 451.92532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H18ClN3O3S/c1-13(2)31-23-25-12-16(24)19(27-23)22(29)26-18-15-10-6-7-11-17(15)30-21(18)20(28)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,26,29)