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

Systemtic Name: 2-[(3-bromanyl-2-chloranyl-phenyl)methylsulfonyl-prop-2-enyl-amino]ethanethioamide Openeye Name: 2-[allyl-[(3-bromo-2-chloro-phenyl)methylsulfonyl]amino]thioacetamide CAS Name: 2-[(3-bromo-2-chlorophenyl)methylsulfonyl-prop-2-enylamino]ethanethioamide IUPAC Name: 2-[(3-bromo-2-chlorophenyl)methylsulfonyl-prop-2-enylamino]ethanethioamide Traditional Name: 2-[allyl-(3-bromo-2-chloro-benzyl)sulfonyl-amino]thioacetamide Formula: C12H14BrClN2O2S2 MolecularWeight: 397.73876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrClN2O2S2/c1-2-6-16(7-11(15)19)20(17,18)8-9-4-3-5-10(13)12(9)14/h2-5H,1,6-8H2,(H2,15,19)