2-[(3-bromophenyl)methylsulfonyl-[2-(oxiran-2-yl)ethyl]amino]ethanethioamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfonyl-[2-(oxiran-2-yl)ethyl]amino]ethanethioamide Openeye Name: 2-[(3-bromophenyl)methylsulfonyl-[2-(oxiran-2-yl)ethyl]amino]thioacetamide CAS Name: 2-[(3-bromophenyl)methylsulfonyl-[2-(2-oxiranyl)ethyl]amino]ethanethioamide IUPAC Name: 2-[(3-bromophenyl)methylsulfonyl-[2-(oxiran-2-yl)ethyl]amino]ethanethioamide Traditional Name: 2-[(3-bromobenzyl)sulfonyl-[2-(oxiran-2-yl)ethyl]amino]thioacetamide Formula: C13H17BrN2O3S2 MolecularWeight: 393.31968

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)CCN(CC(=S)N)S(=O)(=O)CC2=CC(=CC=C2)Br

Isomeric SMILES

C1C(O1)CCN(CC(=S)N)S(=O)(=O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H17BrN2O3S2/c14-11-3-1-2-10(6-11)9-21(17,18)16(7-13(15)20)5-4-12-8-19-12/h1-3,6,12H,4-5,7-9H2,(H2,15,20)