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

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionamide Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3S2/c1-13-19(24)22(15-4-2-3-5-16(15)25-13)10-8-18(23)21-9-11-26-12-14-6-7-17(20)27-14/h2-7,13H,8-12H2,1H3,(H,21,23)