2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]ethanamide

Systemtic Name: 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]ethanamide Openeye Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(diethylamino)-2-(3-thienyl)ethyl]acetamide CAS Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]acetamide IUPAC Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide Traditional Name: 2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)-N-[2-(diethylamino)-2-(3-thienyl)ethyl]acetamide Formula: C20H24BrN3O3S MolecularWeight: 466.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)CN1C(=O)COC2=C1C=CC(=C2)Br)C3=CSC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)CN1C(=O)COC2=C1C=CC(=C2)Br)C3=CSC=C3

InChI

InChI=1S/C20H24BrN3O3S/c1-3-23(4-2)17(14-7-8-28-13-14)10-22-19(25)11-24-16-6-5-15(21)9-18(16)27-12-20(24)26/h5-9,13,17H,3-4,10-12H2,1-2H3,(H,22,25)