3,6-bis(azanyl)-5-ethyl-2,3-dimethyl-N-methylidene-1,1-bis(oxidanylidene)-2H-1,3-benzothiazol-3-ium-4-carboxamide

Systemtic Name: 3,6-bis(azanyl)-5-ethyl-2,3-dimethyl-N-methylidene-1,1-bis(oxidanylidene)-2H-1,3-benzothiazol-3-ium-4-carboxamide Openeye Name: 3,6-diamino-5-ethyl-2,3-dimethyl-N-methylene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-4-carboxamide CAS Name: 3,6-diamino-5-ethyl-2,3-dimethyl-N-methylene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-4-carboxamide IUPAC Name: 3,6-diamino-5-ethyl-2,3-dimethyl-N-methylidene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-4-carboxamide Traditional Name: 3,6-diamino-5-ethyl-1,1-diketo-2,3-dimethyl-N-methylene-2H-1,3-benzothiazol-3-ium-4-carboxamide Formula: C13H19N4O3S+ MolecularWeight: 311.37996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1N)S(=O)(=O)C([N+]2(C)N)C)C(=O)N=C

Isomeric SMILES

CCC1=C(C2=C(C=C1N)S(=O)(=O)C([N+]2(C)N)C)C(=O)N=C

InChI

InChI=1S/C13H19N4O3S/c1-5-8-9(14)6-10-12(11(8)13(18)16-3)17(4,15)7(2)21(10,19)20/h6-7H,3,5,14-15H2,1-2,4H3/q+1