3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]propanethioamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]propanethioamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]propanethioamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]propanethioamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]propanethioamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]thiopropionamide Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=S)N)C1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CN(CCC(=S)N)C1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C11H13N3O2S2/c1-14(7-6-10(12)17)11-8-4-2-3-5-9(8)18(15,16)13-11/h2-5H,6-7H2,1H3,(H2,12,17)