3,6-bis(azanyl)-3-methyl-N-methylidene-1,1-bis(oxidanylidene)-2H-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: 3,6-bis(azanyl)-3-methyl-N-methylidene-1,1-bis(oxidanylidene)-2H-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: 3,6-diamino-3-methyl-N-methylene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: 3,6-diamino-3-methyl-N-methylene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: 3,6-diamino-3-methyl-N-methylidene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: 3,6-diamino-1,1-diketo-3-methyl-N-methylene-2H-1,3-benzothiazol-3-ium-2-carboxamide Formula: C10H13N4O3S+ MolecularWeight: 269.30022

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(S(=O)(=O)C2=C1C=CC(=C2)N)C(=O)N=C)N

Isomeric SMILES

C[N+]1(C(S(=O)(=O)C2=C1C=CC(=C2)N)C(=O)N=C)N

InChI

InChI=1S/C10H13N4O3S/c1-13-9(15)10-14(2,12)7-4-3-6(11)5-8(7)18(10,16)17/h3-5,10H,1,11-12H2,2H3/q+1