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

Systemtic Name: 4-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanethioamide Openeye Name: 4-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)butanethioamide CAS Name: 4-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)butanethioamide IUPAC Name: 4-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)butanethioamide Traditional Name: 4-(6-bromo-3-keto-1,4-benzoxazin-4-yl)thiobutyramide Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O2S/c13-8-3-4-10-9(6-8)15(12(16)7-17-10)5-1-2-11(14)18/h3-4,6H,1-2,5,7H2,(H2,14,18)