5-chloranyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-[2-(phenylcarbamoyl)benzofuran-3-yl]pyrimidine-4-carboxamide CAS Name: N-[2-[anilino(oxo)methyl]-3-benzofuranyl]-5-chloro-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(phenylcarbamoyl)-1-benzofuran-3-yl]-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-[2-(phenylcarbamoyl)benzofuran-3-yl]pyrimidine-4-carboxamide Formula: C23H17ClN4O3S MolecularWeight: 464.92408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O3S/c1-2-12-32-23-25-13-16(24)19(28-23)21(29)27-18-15-10-6-7-11-17(15)31-20(18)22(30)26-14-8-4-3-5-9-14/h2-11,13H,1,12H2,(H,26,30)(H,27,29)