N-[3-(ethanethioylamino)propyl]-3-[tris(bromanyl)methylsulfonyl]benzamide

Systemtic Name: N-[3-(ethanethioylamino)propyl]-3-[tris(bromanyl)methylsulfonyl]benzamide Openeye Name: N-[3-(ethanethioylamino)propyl]-3-(tribromomethylsulfonyl)benzamide CAS Name: N-[3-(1-sulfanylideneethylamino)propyl]-3-(tribromomethylsulfonyl)benzamide IUPAC Name: N-[3-(ethanethioylamino)propyl]-3-(tribromomethylsulfonyl)benzamide Traditional Name: N-[3-(thioacetylamino)propyl]-3-(tribromomethylsulfonyl)benzamide Formula: C13H15Br3N2O3S2 MolecularWeight: 551.1118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CC(=S)NCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C13H15Br3N2O3S2/c1-9(22)17-6-3-7-18-12(19)10-4-2-5-11(8-10)23(20,21)13(14,15)16/h2,4-5,8H,3,6-7H2,1H3,(H,17,22)(H,18,19)