N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[[7-(1H-pyrazol-5-yl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[[7-(1H-pyrazol-5-yl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[4-[2-[[7-(1H-pyrazol-5-yl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[[7-(1H-pyrazol-5-yl)-1,3-benzoxazol-2-yl]thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[[7-(1H-pyrazol-5-yl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[4-[2-[[7-(1H-pyrazol-5-yl)-1,3-benzoxazol-2-yl]thio]ethyl]piperazino]acetamide Formula: C30H38N6O2S MolecularWeight: 546.72672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC(=C4O3)C5=CC=NN5

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC(=C4O3)C5=CC=NN5

InChI

InChI=1S/C30H38N6O2S/c1-20(2)22-7-5-8-23(21(3)4)28(22)33-27(37)19-36-15-13-35(14-16-36)17-18-39-30-32-26-10-6-9-24(29(26)38-30)25-11-12-31-34-25/h5-12,20-21H,13-19H2,1-4H3,(H,31,34)(H,33,37)