3-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-2-methyl-propanethioamide

Systemtic Name: 3-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-2-methyl-propanethioamide Openeye Name: 3-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)-2-methyl-propanethioamide CAS Name: 3-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanethioamide IUPAC Name: 3-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanethioamide Traditional Name: 3-(6-bromo-3-keto-1,4-benzoxazin-4-yl)-2-methyl-thiopropionamide Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)COC2=C1C=C(C=C2)Br)C(=S)N

Isomeric SMILES

CC(CN1C(=O)COC2=C1C=C(C=C2)Br)C(=S)N

InChI

InChI=1S/C12H13BrN2O2S/c1-7(12(14)18)5-15-9-4-8(13)2-3-10(9)17-6-11(15)16/h2-4,7H,5-6H2,1H3,(H2,14,18)