N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-6-bromanyl-2H-chromene-3-carboxamide

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-6-bromanyl-2H-chromene-3-carboxamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-6-bromo-2H-chromene-3-carboxamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-6-bromo-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-6-bromo-2H-chromene-3-carboxamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-6-bromo-2H-chromene-3-carboxamide Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3

InChI

InChI=1S/C21H16BrN3O3S/c1-12(26)23-17-5-2-13(3-6-17)18-11-29-21(24-18)25-20(27)15-8-14-9-16(22)4-7-19(14)28-10-15/h2-9,11H,10H2,1H3,(H,23,26)(H,24,25,27)