5-bromanyl-N-[(E)-[3-methyl-2-(2-thiophen-2-ylethylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(E)-[3-methyl-2-(2-thiophen-2-ylethylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(E)-[3-methyl-2-[2-(2-thienyl)ethylcarbamoyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(E)-[3-methyl-2-[oxo-(2-thiophen-2-ylethylamino)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(E)-[3-methyl-2-(2-thiophen-2-ylethylcarbamoyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(E)-[3-methyl-2-[2-(2-thienyl)ethylcarbamoyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]nicotinamide Formula: C22H21BrN4O3S MolecularWeight: 501.39614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)NCCC4=CC=CS4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C22H21BrN4O3S/c1-13-19-17(26-27-21(28)14-10-15(23)12-24-11-14)5-2-6-18(19)30-20(13)22(29)25-8-7-16-4-3-9-31-16/h3-4,9-12H,2,5-8H2,1H3,(H,25,29)(H,27,28)/b26-17+