5-chloranyl-N-[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]benzofuran-3-yl]-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-chloroanilino)-oxomethyl]-3-benzofuranyl]-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]-1-benzofuran-3-yl]-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]benzofuran-3-yl]-2-(ethylthio)pyrimidine-4-carboxamide Formula: C22H16Cl2N4O3S MolecularWeight: 487.35844

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N4O3S/c1-2-32-22-25-11-15(24)18(28-22)20(29)27-17-14-5-3-4-6-16(14)31-19(17)21(30)26-13-9-7-12(23)8-10-13/h3-11H,2H2,1H3,(H,26,30)(H,27,29)