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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Br)Cl

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Br)Cl

InChI

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