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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-N-(6-phenyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-guanidino-N-(6-phenyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-(diaminomethylideneamino)-N-(6-phenyl-1,3-benzothiazol-2-yl)-4-thiazolecarboxamide IUPAC Name: 2-(diaminomethylideneamino)-N-(6-phenyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-guanidino-N-(6-phenyl-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C18H14N6OS2 MolecularWeight: 394.47336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CSC(=N4)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CSC(=N4)N=C(N)N

InChI

InChI=1S/C18H14N6OS2/c19-16(20)24-17-22-13(9-26-17)15(25)23-18-21-12-7-6-11(8-14(12)27-18)10-4-2-1-3-5-10/h1-9H,(H,21,23,25)(H4,19,20,22,24)