ethyl 4-[(2-methoxyethanoylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methoxyethanoylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[(2-methoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(2-methoxyacetyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC

InChI

InChI=1S/C13H17N3O4S/c1-3-20-12(18)9-4-6-10(7-5-9)14-13(21)16-15-11(17)8-19-2/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,21)