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

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-methyl-N-piperazin-1-yl-pentanamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropylphenyl)-2-methyl-N-piperazin-1-yl-pentanamide CAS Name: 5-(1,3-benzoxazol-2-ylthio)-N-[2,6-di(propan-2-yl)phenyl]-2-methyl-N-(1-piperazinyl)pentanamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-methyl-N-piperazin-1-ylpentanamide Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropylphenyl)-2-methyl-N-piperazino-valeramide Formula: C29H40N4O2S MolecularWeight: 508.7185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O2S/c1-20(2)23-11-8-12-24(21(3)4)27(23)33(32-17-15-30-16-18-32)28(34)22(5)10-9-19-36-29-31-25-13-6-7-14-26(25)35-29/h6-8,11-14,20-22,30H,9-10,15-19H2,1-5H3