1-[(2R)-3-(2,4-dichlorophenyl)-1-oxidanylidene-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]-3-[(2-fluorophenyl)methyl]urea

Systemtic Name: 1-[(2R)-3-(2,4-dichlorophenyl)-1-oxidanylidene-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]-3-[(2-fluorophenyl)methyl]urea Openeye Name: 1-[(1R)-1-[(2,4-dichlorophenyl)methyl]-2-oxo-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazin-1-yl]ethyl]-3-[(2-fluorophenyl)methyl]urea CAS Name: 1-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]-1-piperazinyl]propan-2-yl]-3-[(2-fluorophenyl)methyl]urea IUPAC Name: 1-[(2R)-3-(2,4-dichlorophenyl)-1-oxo-1-[4-[2-[(2-thiophen-2-ylethylamino)methyl]phenyl]piperazin-1-yl]propan-2-yl]-3-[(2-fluorophenyl)methyl]urea Traditional Name: 1-[(1R)-1-(2,4-dichlorobenzyl)-2-keto-2-[4-[2-[[2-(2-thienyl)ethylamino]methyl]phenyl]piperazino]ethyl]-3-(2-fluorobenzyl)urea Formula: C34H36Cl2FN5O2S MolecularWeight: 668.651343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)C(CC4=C(C=C(C=C4)Cl)Cl)NC(=O)NCC5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2CNCCC3=CC=CS3)C(=O)[C@@H](CC4=C(C=C(C=C4)Cl)Cl)NC(=O)NCC5=CC=CC=C5F

InChI

InChI=1S/C34H36Cl2FN5O2S/c35-27-12-11-24(29(36)21-27)20-31(40-34(44)39-23-25-6-1-3-9-30(25)37)33(43)42-17-15-41(16-18-42)32-10-4-2-7-26(32)22-38-14-13-28-8-5-19-45-28/h1-12,19,21,31,38H,13-18,20,22-23H2,(H2,39,40,44)/t31-/m1/s1