N-[3,3-dimethyl-2-[[4-[(5-nitrothiophen-3-yl)methyl]piperazin-1-yl]methyl]butyl]benzamide

Systemtic Name: N-[3,3-dimethyl-2-[[4-[(5-nitrothiophen-3-yl)methyl]piperazin-1-yl]methyl]butyl]benzamide Openeye Name: N-[3,3-dimethyl-2-[[4-[(5-nitro-3-thienyl)methyl]piperazin-1-yl]methyl]butyl]benzamide CAS Name: N-[3,3-dimethyl-2-[[4-[(5-nitro-3-thiophenyl)methyl]-1-piperazinyl]methyl]butyl]benzamide IUPAC Name: N-[3,3-dimethyl-2-[[4-[(5-nitrothiophen-3-yl)methyl]piperazin-1-yl]methyl]butyl]benzamide Traditional Name: N-[3,3-dimethyl-2-[[4-[(5-nitro-3-thienyl)methyl]piperazino]methyl]butyl]benzamide Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CNC(=O)C1=CC=CC=C1)CN2CCN(CC2)CC3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(CNC(=O)C1=CC=CC=C1)CN2CCN(CC2)CC3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O3S/c1-23(2,3)20(14-24-22(28)19-7-5-4-6-8-19)16-26-11-9-25(10-12-26)15-18-13-21(27(29)30)31-17-18/h4-8,13,17,20H,9-12,14-16H2,1-3H3,(H,24,28)