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

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=O)COC4=CC=CC=C43)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=O)COC4=CC=CC=C43)Br

InChI

InChI=1S/C21H18BrN3O4S/c1-28-17-7-6-13(10-14(17)22)15-12-30-21(23-15)24-19(26)8-9-25-16-4-2-3-5-18(16)29-11-20(25)27/h2-7,10,12H,8-9,11H2,1H3,(H,23,24,26)