6-bromanyl-1-oxidanylidene-N-(2-propan-2-ylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 6-bromanyl-1-oxidanylidene-N-(2-propan-2-ylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-(2-isopropylsulfanylphenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-1-oxo-N-[2-(propan-2-ylthio)phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-1-oxo-N-(2-propan-2-ylsulfanylphenyl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-N-[2-(isopropylthio)phenyl]-1-keto-isochroman-3-carboxamide Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

CC(C)SC1=CC=CC=C1NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C19H18BrNO3S/c1-11(2)25-17-6-4-3-5-15(17)21-18(22)16-10-12-9-13(20)7-8-14(12)19(23)24-16/h3-9,11,16H,10H2,1-2H3,(H,21,22)