N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)acetamide Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H21BrN4O3S/c1-30-9-8-16(21-24-14-4-2-3-5-15(14)25-21)23-19(27)11-26-17-7-6-13(22)10-18(17)29-12-20(26)28/h2-7,10,16H,8-9,11-12H2,1H3,(H,23,27)(H,24,25)