ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H19N5O2S MolecularWeight: 345.41936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H19N5O2S/c1-4-23-14(22)12-5-7-13(8-6-12)19-16(24)21-20-15-17-10(2)9-11(3)18-15/h5-9H,4H2,1-3H3,(H,17,18,20)(H2,19,21,24)