5-chloranyl-N-[2-(4-ethoxyphenyl)carbonyl-1-benzofuran-3-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(4-ethoxyphenyl)carbonyl-1-benzofuran-3-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-ethoxyphenyl)-oxomethyl]-3-benzofuranyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCC)Cl

InChI

InChI=1S/C25H22ClN3O4S/c1-3-13-34-25-27-14-18(26)21(29-25)24(31)28-20-17-7-5-6-8-19(17)33-23(20)22(30)15-9-11-16(12-10-15)32-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,28,31)