1-[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]ethyl]-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]ethyl]-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]ethyl]-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]ethyl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-[2-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]ethyl]-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[2-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]ethyl]-3-(2,6-diisopropylphenyl)urea Formula: C28H39N5O2S MolecularWeight: 509.70656

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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=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCCN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C28H39N5O2S/c1-20(2)22-8-7-9-23(21(3)4)26(22)31-27(34)29-12-13-32-14-16-33(17-15-32)18-19-36-28-30-24-10-5-6-11-25(24)35-28/h5-11,20-21H,12-19H2,1-4H3,(H2,29,31,34)