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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)N)CC(C)(C)C)CN2CCN(CC2)CC3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)N)CC(C)(C)C)CN2CCN(CC2)CC3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O3S/c1-16-5-6-18(22(24)28)19(12-23(2,3)4)20(16)14-26-9-7-25(8-10-26)13-17-11-21(27(29)30)31-15-17/h5-6,11,15H,7-10,12-14H2,1-4H3,(H2,24,28)