ethyl 4-(ethoxycarbonylcarbamothioylamino)-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamothioylamino)-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-(ethoxycarbonylcarbamothioylamino)-1H-imidazole-5-carboxylate CAS Name: 4-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethoxycarbonylcarbamothioylamino)-1H-imidazole-5-carboxylate Traditional Name: 4-(carbethoxythiocarbamoylamino)-1H-imidazole-5-carboxylic acid ethyl ester Formula: C10H14N4O4S MolecularWeight: 286.30756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN1)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=CN1)NC(=S)NC(=O)OCC

InChI

InChI=1S/C10H14N4O4S/c1-3-17-8(15)6-7(12-5-11-6)13-9(19)14-10(16)18-4-2/h5H,3-4H2,1-2H3,(H,11,12)(H2,13,14,16,19)