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

Systemtic Name: ethyl 4-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]benzoate Traditional Name: 4-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H17N5O3S MolecularWeight: 347.39218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2C(=O)N)C

InChI

InChI=1S/C15H17N5O3S/c1-3-23-14(22)9-4-6-10(7-5-9)17-15(24)18-11-8-20(2)19-12(11)13(16)21/h4-8H,3H2,1-2H3,(H2,16,21)(H2,17,18,24)