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

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-pentanamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropylphenyl)-2-piperazin-1-yl-pentanamide CAS Name: 5-(1,3-benzoxazol-2-ylthio)-N-[2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)pentanamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylpentanamide Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropylphenyl)-2-piperazino-valeramide Formula: C28H38N4O2S MolecularWeight: 494.69192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O2S/c1-19(2)21-9-7-10-22(20(3)4)26(21)31-27(33)24(32-16-14-29-15-17-32)12-8-18-35-28-30-23-11-5-6-13-25(23)34-28/h5-7,9-11,13,19-20,24,29H,8,12,14-18H2,1-4H3,(H,31,33)