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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C20H20FN5OS MolecularWeight: 397.469103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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