ethyl 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=S)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=S)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C18H24N4O2S/c1-5-22-13(4)16(12(3)21-22)11-19-18(25)20-15-9-7-14(8-10-15)17(23)24-6-2/h7-10H,5-6,11H2,1-4H3,(H2,19,20,25)