N-[2-[2,6-di(propan-2-yl)phenyl]-3-nitro-phenyl]-2-[4-[2-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[2-[2,6-di(propan-2-yl)phenyl]-3-nitro-phenyl]-2-[4-[2-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]ethanamide Openeye Name: N-[2-(2,6-diisopropylphenyl)-3-nitro-phenyl]-2-[4-[2-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]acetamide CAS Name: N-[2-[2,6-di(propan-2-yl)phenyl]-3-nitrophenyl]-2-[4-[2-[(7-nitro-1,3-benzoxazol-2-yl)thio]ethyl]-1-piperazinyl]acetamide IUPAC Name: N-[2-[2,6-di(propan-2-yl)phenyl]-3-nitrophenyl]-2-[4-[2-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]acetamide Traditional Name: N-[2-(2,6-diisopropylphenyl)-3-nitro-phenyl]-2-[4-[2-[(7-nitro-1,3-benzoxazol-2-yl)thio]ethyl]piperazino]acetamide Formula: C33H38N6O6S MolecularWeight: 646.75642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)C2=C(C=CC=C2[N+](=O)[O-])NC(=O)CN3CCN(CC3)CCSC4=NC5=C(O4)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)C2=C(C=CC=C2[N+](=O)[O-])NC(=O)CN3CCN(CC3)CCSC4=NC5=C(O4)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H38N6O6S/c1-21(2)23-8-5-9-24(22(3)4)30(23)31-25(10-6-12-27(31)38(41)42)34-29(40)20-37-16-14-36(15-17-37)18-19-46-33-35-26-11-7-13-28(39(43)44)32(26)45-33/h5-13,21-22H,14-20H2,1-4H3,(H,34,40)