2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[3-nitro-2,6-di(propan-2-yl)phenyl]ethanamide

Systemtic Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[3-nitro-2,6-di(propan-2-yl)phenyl]ethanamide Openeye Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-(2,6-diisopropyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]-1-piperazinyl]-N-[3-nitro-2,6-di(propan-2-yl)phenyl]acetamide IUPAC Name: 2-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]piperazin-1-yl]-N-[3-nitro-2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-[4-[3-(1,3-benzoxazol-2-ylthio)propyl]piperazino]-N-(2,6-diisopropyl-3-nitro-phenyl)acetamide Formula: C28H37N5O4S MolecularWeight: 539.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)[N+](=O)[O-])C(C)C)NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)[N+](=O)[O-])C(C)C)NC(=O)CN2CCN(CC2)CCCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C28H37N5O4S/c1-19(2)21-10-11-23(33(35)36)26(20(3)4)27(21)30-25(34)18-32-15-13-31(14-16-32)12-7-17-38-28-29-22-8-5-6-9-24(22)37-28/h5-6,8-11,19-20H,7,12-18H2,1-4H3,(H,30,34)