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

Systemtic Name: N-[(E)-[2-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[(E)-[2-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-5-bromo-pyridine-3-carboxamide CAS Name: N-[(E)-[2-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[(E)-[2-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-5-bromopyridine-3-carboxamide Traditional Name: N-[(E)-[2-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-5-bromo-nicotinamide Formula: C23H18BrN5O3S MolecularWeight: 524.38972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CN=C3)Br)CCC2)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CN=C3)Br)/CCC2)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18BrN5O3S/c1-12-19-16(28-29-21(30)13-9-14(24)11-25-10-13)6-4-7-17(19)32-20(12)22(31)27-23-26-15-5-2-3-8-18(15)33-23/h2-3,5,8-11H,4,6-7H2,1H3,(H,29,30)(H,26,27,31)/b28-16+