N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)acetamide Formula: C18H19BrN2O3S2 MolecularWeight: 455.38906

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C18H19BrN2O3S2/c1-12-18(23)21(14-4-2-3-5-15(14)24-12)10-17(22)20-8-9-25-11-13-6-7-16(19)26-13/h2-7,12H,8-11H2,1H3,(H,20,22)