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

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-yl-pentanamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,6-diisopropyl-3-nitro-phenyl)-2-piperazin-1-yl-pentanamide CAS Name: 5-(1,3-benzoxazol-2-ylthio)-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-(1-piperazinyl)pentanamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-nitro-2,6-di(propan-2-yl)phenyl]-2-piperazin-1-ylpentanamide Traditional Name: 5-(1,3-benzoxazol-2-ylthio)-N-(2,6-diisopropyl-3-nitro-phenyl)-2-piperazino-valeramide 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)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)[N+](=O)[O-])C(C)C)NC(=O)C(CCCSC2=NC3=CC=CC=C3O2)N4CCNCC4

InChI

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