1-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-4-yl]carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-4-yl]carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[[1-[(2-chloro-4-fluoro-phenyl)methyl]piperidine-4-carbonyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[[1-[(2-chloro-4-fluorophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidine-4-carbonyl]amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[[1-(2-chloro-4-fluoro-benzyl)isonipecotoyl]amino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C24H25ClFN7O3S2 MolecularWeight: 578.081803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C24H25ClFN7O3S2/c25-21-14-18(26)3-2-17(21)15-33-12-8-16(9-13-33)22(34)30-31-24(37)29-19-4-6-20(7-5-19)38(35,36)32-23-27-10-1-11-28-23/h1-7,10-11,14,16H,8-9,12-13,15H2,(H,30,34)(H,27,28,32)(H2,29,31,37)