N-[5-[(4-bromanyl-3-chloranyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: N-[5-[(4-bromanyl-3-chloranyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]thiazol-2-yl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: N-[5-[(4-bromo-3-chlorophenyl)methyl]-2-thiazolyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: N-[5-[(4-bromo-3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-[5-(4-bromo-3-chloro-benzyl)thiazol-2-yl]-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C26H18BrClN2O3S MolecularWeight: 553.85472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Br)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C(OC(=O)C2=C1C=C(C=C2)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Br)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H18BrClN2O3S/c27-21-9-6-15(11-22(21)28)10-19-14-29-26(34-19)30-24(31)17-7-8-20-18(12-17)13-23(33-25(20)32)16-4-2-1-3-5-16/h1-9,11-12,14,23H,10,13H2,(H,29,30,31)