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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-guanidino-N-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C13H11N7O3S2 MolecularWeight: 377.40154

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

CN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C13H11N7O3S2/c1-19(10(21)8-5-24-12(16-8)18-11(14)15)13-17-7-3-2-6(20(22)23)4-9(7)25-13/h2-5H,1H3,(H4,14,15,16,18)