2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[3-methylsulfanyl-2,6-di(propan-2-yl)phenyl]ethanamide

Systemtic Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[3-methylsulfanyl-2,6-di(propan-2-yl)phenyl]ethanamide Openeye Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-methylsulfanyl-phenyl)acetamide CAS Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]-1-piperazinyl]-N-[3-(methylthio)-2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[3-methylsulfanyl-2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]piperazino]-N-[2,6-diisopropyl-3-(methylthio)phenyl]acetamide Formula: C29H40N4O2S2 MolecularWeight: 540.7835

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)SC)C(C)C)NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)SC)C(C)C)NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C29H40N4O2S2/c1-20(2)22-11-12-25(36-5)27(21(3)4)28(22)31-26(34)19-33-16-14-32(15-17-33)13-8-18-37-29-30-23-9-6-7-10-24(23)35-29/h6-7,9-12,20-21H,8,13-19H2,1-5H3,(H,31,34)