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

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-ethyl-3-methyl-2-piperazin-1-yl-pentanamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropylphenyl)-2-ethyl-3-methyl-2-piperazin-1-yl-pentanamide CAS Name: 5-(1,3-benzoxazol-2-ylthio)-N-[2,6-di(propan-2-yl)phenyl]-2-ethyl-3-methyl-2-(1-piperazinyl)pentanamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]-2-ethyl-3-methyl-2-piperazin-1-ylpentanamide Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropylphenyl)-2-ethyl-3-methyl-2-piperazino-valeramide Formula: C31H44N4O2S MolecularWeight: 536.77166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CCSC1=NC2=CC=CC=C2O1)(C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)N4CCNCC4

Isomeric SMILES

CCC(C(C)CCSC1=NC2=CC=CC=C2O1)(C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)N4CCNCC4

InChI

InChI=1S/C31H44N4O2S/c1-7-31(35-18-16-32-17-19-35,23(6)15-20-38-30-33-26-13-8-9-14-27(26)37-30)29(36)34-28-24(21(2)3)11-10-12-25(28)22(4)5/h8-14,21-23,32H,7,15-20H2,1-6H3,(H,34,36)