N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-(1-methylene-3-oxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-3-(1-methylene-3-oxo-2-isoindolyl)propanamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-(1-keto-3-methylene-isoindolin-2-yl)propionamide Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)Br

InChI

InChI=1S/C22H18BrN3O3S/c1-13-15-5-3-4-6-16(15)21(28)26(13)10-9-20(27)25-22-24-18(12-30-22)14-7-8-19(29-2)17(23)11-14/h3-8,11-12H,1,9-10H2,2H3,(H,24,25,27)