[2-acetyloxy-4-[bis(azanyl)methylidenecarbamothioylamino]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[bis(azanyl)methylidenecarbamothioylamino]phenyl] ethanoate Openeye Name: [2-acetoxy-4-(diaminomethylenecarbamothioylamino)phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[[(diaminomethylideneamino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-acetyloxy-4-(diaminomethylidenecarbamothioylamino)phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-(diaminomethylenethiocarbamoylamino)phenyl] ester Formula: C12H14N4O4S MolecularWeight: 310.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)NC(=S)N=C(N)N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)NC(=S)N=C(N)N)OC(=O)C

InChI

InChI=1S/C12H14N4O4S/c1-6(17)19-9-4-3-8(5-10(9)20-7(2)18)15-12(21)16-11(13)14/h3-5H,1-2H3,(H5,13,14,15,16,21)