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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(4-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-(4-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-(4-nitro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-(4-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-guanidino-N-(4-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C12H9N7O3S2 MolecularWeight: 363.37496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N7O3S2/c13-10(14)18-11-15-5(4-23-11)9(20)17-12-16-8-6(19(21)22)2-1-3-7(8)24-12/h1-4H,(H,16,17,20)(H4,13,14,15,18)