1-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiourea

Systemtic Name: 1-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbonylamino]-3-methyl-thiourea Openeye Name: 1-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]-3-methyl-thiourea CAS Name: 1-[[[5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-methylthiourea IUPAC Name: 1-[[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbonyl]amino]-3-methylthiourea Traditional Name: 1-[[5-tert-butyl-2-(4-fluorobenzyl)pyrazole-3-carbonyl]amino]-3-methyl-thiourea Formula: C17H22FN5OS MolecularWeight: 363.452883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=S)NC)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NNC(=S)NC)CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H22FN5OS/c1-17(2,3)14-9-13(15(24)20-21-16(25)19-4)23(22-14)10-11-5-7-12(18)8-6-11/h5-9H,10H2,1-4H3,(H,20,24)(H2,19,21,25)