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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-guanidino-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C13H11N7O4S2 MolecularWeight: 393.40094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C13H11N7O4S2/c1-24-7-2-5(20(22)23)3-8-9(7)17-13(26-8)18-10(21)6-4-25-12(16-6)19-11(14)15/h2-4H,1H3,(H,17,18,21)(H4,14,15,16,19)