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

Systemtic Name: ethyl 4-[[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]carbamothioylamino]benzoate Traditional Name: 4-[[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H24N4O3S/c1-3-16-5-11-20(12-6-16)29-15-26-14-19(13-23-26)25-22(30)24-18-9-7-17(8-10-18)21(27)28-4-2/h5-14H,3-4,15H2,1-2H3,(H2,24,25,30)