1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5OS/c1-14-19(15(2)27(26-14)18-6-4-3-5-7-18)12-20(28)24-25-21(29)23-13-16-8-10-17(22)11-9-16/h3-11H,12-13H2,1-2H3,(H,24,28)(H2,23,25,29)