2-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(2-guanidinothiazol-4-yl)-N-(4-nitrophenyl)acetamide CAS Name: 2-[2-(diaminomethylideneamino)-4-thiazolyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-(2-guanidinothiazol-4-yl)-N-(4-nitrophenyl)acetamide Formula: C12H12N6O3S MolecularWeight: 320.32708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CC2=CSC(=N2)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CC2=CSC(=N2)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3S/c13-11(14)17-12-16-8(6-22-12)5-10(19)15-7-1-3-9(4-2-7)18(20)21/h1-4,6H,5H2,(H,15,19)(H4,13,14,16,17)