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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(6-cyano-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-(6-cyano-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide CAS Name: N-(6-cyano-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-4-thiazolecarboxamide IUPAC Name: N-(6-cyano-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxamide Traditional Name: N-(6-cyano-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide Formula: C13H9N7OS2 MolecularWeight: 343.38686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)SC(=N2)NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1C#N)SC(=N2)NC(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C13H9N7OS2/c14-4-6-1-2-7-9(3-6)23-13(17-7)19-10(21)8-5-22-12(18-8)20-11(15)16/h1-3,5H,(H,17,19,21)(H4,15,16,18,20)