1,1-bis(oxidanylidene)-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one hydrobromide

Systemtic Name: 1,1-bis(oxidanylidene)-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one hydrobromide Openeye Name: 1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one hydrobromide CAS Name: 2-[4-(2-mercaptoethylamino)butyl]-1,1-dioxo-1,2-benzothiazol-3-one hydrobromide IUPAC Name: 1,1-dioxo-2-[4-(2-sulfanylethylamino)butyl]-1,2-benzothiazol-3-one hydrobromide Traditional Name: 1,1-diketo-2-[4-(2-mercaptoethylamino)butyl]-1,2-benzothiazol-3-one hydrobromide Formula: C13H19BrN2O3S2 MolecularWeight: 395.33556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCNCCS.Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCNCCS.Br

InChI

InChI=1S/C13H18N2O3S2.BrH/c16-13-11-5-1-2-6-12(11)20(17,18)15(13)9-4-3-7-14-8-10-19;/h1-2,5-6,14,19H,3-4,7-10H2;1H