1-(4-chlorophenyl)-3-[(2S,3S)-3-oxidanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[(2S,3S)-3-oxidanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[(1S,2S)-2-hydroxy-1-[4-(4-pyridyl)piperazine-1-carbonyl]propyl]urea CAS Name: 1-(4-chlorophenyl)-3-[(2S,3S)-3-hydroxy-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)butan-2-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[(2S,3S)-3-hydroxy-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[(1S,2S)-2-hydroxy-1-[4-(4-pyridyl)piperazine-1-carbonyl]propyl]urea Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCN(CC1)C2=CC=NC=C2)NC(=O)NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)N1CCN(CC1)C2=CC=NC=C2)NC(=O)NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H24ClN5O3/c1-14(27)18(24-20(29)23-16-4-2-15(21)3-5-16)19(28)26-12-10-25(11-13-26)17-6-8-22-9-7-17/h2-9,14,18,27H,10-13H2,1H3,(H2,23,24,29)/t14-,18-/m0/s1