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

Systemtic Name: N-[5-[(4-bromanyl-3-chloranyl-phenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-[(4-bromo-3-chloro-phenyl)methyl]-4-methyl-thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-(4-bromo-3-chloro-benzyl)-4-methyl-thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C21H16BrClN2O3S MolecularWeight: 491.78534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC(=C(C=C4)Br)Cl

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)CC4=CC(=C(C=C4)Br)Cl

InChI

InChI=1S/C21H16BrClN2O3S/c1-11-18(9-12-6-7-15(22)16(23)8-12)29-21(24-11)25-19(26)17-10-13-4-2-3-5-14(13)20(27)28-17/h2-8,17H,9-10H2,1H3,(H,24,25,26)