1-[2,6-di(propan-2-yl)phenyl]-3-[2-[4-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]piperazin-1-yl]ethyl]urea

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[2-[4-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]piperazin-1-yl]ethyl]urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-[2-[4-(2-oxazolo[4,5-b]pyridin-2-ylsulfanylethyl)piperazin-1-yl]ethyl]urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[2-[4-[2-(2-oxazolo[4,5-b]pyridinylthio)ethyl]-1-piperazinyl]ethyl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[2-[4-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]piperazin-1-yl]ethyl]urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-[2-[4-[2-(oxazolo[4,5-b]pyridin-2-ylthio)ethyl]piperazino]ethyl]urea Formula: C27H38N6O2S MolecularWeight: 510.69462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCCN2CCN(CC2)CCSC3=NC4=C(O3)C=CC=N4

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCCN2CCN(CC2)CCSC3=NC4=C(O3)C=CC=N4

InChI

InChI=1S/C27H38N6O2S/c1-19(2)21-7-5-8-22(20(3)4)24(21)30-26(34)29-11-12-32-13-15-33(16-14-32)17-18-36-27-31-25-23(35-27)9-6-10-28-25/h5-10,19-20H,11-18H2,1-4H3,(H2,29,30,34)