2-[bis(azanyl)methylideneamino]-N-(5-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(5-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-(5-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-(5-nitro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-(5-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-guanidino-N-(5-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=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

InChI

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