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

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 4-(4-methylpiperazino)-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S/c1-26-11-13-27(14-12-26)22-10-8-19(17-23(22)28(30)31)24(29)25-20-5-2-4-18(16-20)7-9-21-6-3-15-32-21/h2-6,8,10,15-17H,11-14H2,1H3,(H,25,29)