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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C18H19BrN2O3S2/c19-16-6-5-13(26-16)12-25-10-8-20-17(22)7-9-21-14-3-1-2-4-15(14)24-11-18(21)23/h1-6H,7-12H2,(H,20,22)