5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-oxidanyl-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-pentanamide

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-oxidanyl-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-pentanamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-hydroxy-2,6-diisopropyl-phenyl)-2-piperazin-1-yl-pentanamide CAS Name: 5-(1,3-benzoxazol-2-ylthio)-N-[3-hydroxy-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)pentanamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-hydroxy-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylpentanamide Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-N-(3-hydroxy-2,6-diisopropyl-phenyl)-2-piperazino-valeramide Formula: C28H38N4O3S MolecularWeight: 510.69132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)O)C(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)O)C(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4

InChI

InChI=1S/C28H38N4O3S/c1-18(2)20-11-12-23(33)25(19(3)4)26(20)31-27(34)22(32-15-13-29-14-16-32)9-7-17-36-28-30-21-8-5-6-10-24(21)35-28/h5-6,8,10-12,18-19,22,29,33H,7,9,13-17H2,1-4H3,(H,31,34)