3-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanethioamide

Systemtic Name: 3-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanethioamide Openeye Name: 3-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)propanethioamide CAS Name: 3-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)propanethioamide IUPAC Name: 3-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)propanethioamide Traditional Name: 3-(6-bromo-3-keto-1,4-benzoxazin-4-yl)thiopropionamide Formula: C11H11BrN2O2S MolecularWeight: 315.18624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CCC(=S)N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)CCC(=S)N

InChI

InChI=1S/C11H11BrN2O2S/c12-7-1-2-9-8(5-7)14(4-3-10(13)17)11(15)6-16-9/h1-2,5H,3-4,6H2,(H2,13,17)