1-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]carbonylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C18H16FN5O2S MolecularWeight: 385.415343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN5O2S/c1-26-14-4-2-3-13(9-14)20-18(27)24-23-17(25)16-10-15(21-22-16)11-5-7-12(19)8-6-11/h2-10H,1H3,(H,21,22)(H,23,25)(H2,20,24,27)