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

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-3-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/c1-20-6-8-21(9-7-20)17(15-5-10-26-13-15)12-19-18(23)14-3-2-4-16(11-14)22(24)25/h2-5,10-11,13,17H,6-9,12H2,1H3,(H,19,23)