3-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide

Systemtic Name: 3-nitro-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]benzamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O3S/c1-19(26-25(30)21-9-5-10-22(17-21)29(31)32)24(23-11-6-16-33-23)28-14-12-27(13-15-28)18-20-7-3-2-4-8-20/h2-11,16-17,19,24H,12-15,18H2,1H3,(H,26,30)