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

Systemtic Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-3-(4-fluorophenyl)thiourea Formula: C20H20FN5OS MolecularWeight: 397.469103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN5OS/c1-13-18(14(2)26(25-13)17-6-4-3-5-7-17)12-19(27)23-24-20(28)22-16-10-8-15(21)9-11-16/h3-11H,12H2,1-2H3,(H,23,27)(H2,22,24,28)