ethyl 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[3-[(3,5-dimethyl-1-pyrazolyl)methyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C22H24N4O2S/c1-4-28-21(27)18-8-10-19(11-9-18)23-22(29)24-20-7-5-6-17(13-20)14-26-16(3)12-15(2)25-26/h5-13H,4,14H2,1-3H3,(H2,23,24,29)