2-[(3-bromanyl-2-chloranyl-phenyl)methylsulfonyl-(2-methylsulfanylpropyl)amino]ethanethioamide

Systemtic Name: 2-[(3-bromanyl-2-chloranyl-phenyl)methylsulfonyl-(2-methylsulfanylpropyl)amino]ethanethioamide Openeye Name: 2-[(3-bromo-2-chloro-phenyl)methylsulfonyl-(2-methylsulfanylpropyl)amino]thioacetamide CAS Name: 2-[(3-bromo-2-chlorophenyl)methylsulfonyl-[2-(methylthio)propyl]amino]ethanethioamide IUPAC Name: 2-[(3-bromo-2-chlorophenyl)methylsulfonyl-(2-methylsulfanylpropyl)amino]ethanethioamide Traditional Name: 2-[(3-bromo-2-chloro-benzyl)sulfonyl-[2-(methylthio)propyl]amino]thioacetamide Formula: C13H18BrClN2O2S3 MolecularWeight: 445.84622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC(=S)N)S(=O)(=O)CC1=C(C(=CC=C1)Br)Cl)SC

Isomeric SMILES

CC(CN(CC(=S)N)S(=O)(=O)CC1=C(C(=CC=C1)Br)Cl)SC

InChI

InChI=1S/C13H18BrClN2O2S3/c1-9(21-2)6-17(7-12(16)20)22(18,19)8-10-4-3-5-11(14)13(10)15/h3-5,9H,6-8H2,1-2H3,(H2,16,20)