N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-2-nitro-benzamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-2-nitrobenzamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-nitrobenzamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-2-nitro-benzamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C18H22N4O3S/c1-20-7-9-21(10-8-20)17(14-6-11-26-13-14)12-19-18(23)15-4-2-3-5-16(15)22(24)25/h2-6,11,13,17H,7-10,12H2,1H3,(H,19,23)