3-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: 3-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: 3-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-isopropylphenyl)propanamide CAS Name: 3-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinyl]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: 3-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: 3-[4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazino]-N-o-cumenyl-propionamide Formula: C25H32N4O2S MolecularWeight: 452.61218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CCN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CCN2CCN(CC2)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H32N4O2S/c1-19(2)20-7-3-4-8-21(20)26-24(30)11-12-28-13-15-29(16-14-28)17-18-32-25-27-22-9-5-6-10-23(22)31-25/h3-10,19H,11-18H2,1-2H3,(H,26,30)