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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(4-chloranyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-4-thiazolecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-2-guanidino-thiazole-4-carboxamide Formula: C12H9ClN6OS2 MolecularWeight: 352.82246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)N=C(S2)NC(=O)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C12H9ClN6OS2/c13-5-2-1-3-7-8(5)17-12(22-7)18-9(20)6-4-21-11(16-6)19-10(14)15/h1-4H,(H,17,18,20)(H4,14,15,16,19)