5-bromanyl-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-5-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: 5-bromo-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-5-bromo-3-methyl-coumarilamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

InChI

InChI=1S/C20H18BrN3O3/c1-3-10-22-20(26)24-15-7-5-14(6-8-15)23-19(25)18-12(2)16-11-13(21)4-9-17(16)27-18/h3-9,11H,1,10H2,2H3,(H,23,25)(H2,22,24,26)