ethyl 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-4-21-11-14(12(3)20-21)10-18-17(24)19-15-8-6-13(7-9-15)16(22)23-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,18,19,24)