2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)acetamide Formula: C17H14BrClN2O3S MolecularWeight: 441.72666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C17H14BrClN2O3S/c1-9-4-10(18)2-3-15(9)25-8-17(23)20-12-6-14-13(5-11(12)19)21-16(22)7-24-14/h2-6H,7-8H2,1H3,(H,20,23)(H,21,22)