2-[bis(azanyl)methylideneamino]-N-(3-methyl-6-nitro-2H-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(3-methyl-6-nitro-2H-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-(3-methyl-6-nitro-2H-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-(3-methyl-6-nitro-2H-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-(3-methyl-6-nitro-2H-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-guanidino-N-(3-methyl-6-nitro-2H-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C13H13N7O3S2 MolecularWeight: 379.41742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

CN1C(SC2=C1C=CC(=C2)[N+](=O)[O-])NC(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C13H13N7O3S2/c1-19-8-3-2-6(20(22)23)4-9(8)25-13(19)17-10(21)7-5-24-12(16-7)18-11(14)15/h2-5,13H,1H3,(H,17,21)(H4,14,15,16,18)