1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-chloranyl-3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-chloranyl-3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]urea Openeye Name: 1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-chloro-3-methyl-5-(4-methylpiperazine-1-carbonyl)-2-thienyl]urea CAS Name: 1-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]-3-[4-chloro-3-methyl-5-[(4-methyl-1-piperazinyl)-oxomethyl]-2-thiophenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-chloro-3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]urea Traditional Name: 1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-chloro-3-methyl-5-(4-methylpiperazine-1-carbonyl)-2-thienyl]urea Formula: C25H30ClFN6O2S MolecularWeight: 533.061103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1Cl)C(=O)N2CCN(CC2)C)NC(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C(C)(C)C

Isomeric SMILES

CC1=C(SC(=C1Cl)C(=O)N2CCN(CC2)C)NC(=O)NC3=CC(=NN3C4=CC=C(C=C4)F)C(C)(C)C

InChI

InChI=1S/C25H30ClFN6O2S/c1-15-20(26)21(23(34)32-12-10-31(5)11-13-32)36-22(15)29-24(35)28-19-14-18(25(2,3)4)30-33(19)17-8-6-16(27)7-9-17/h6-9,14H,10-13H2,1-5H3,(H2,28,29,35)