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

Systemtic Name: 4-cyano-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]-4-cyano-benzamide CAS Name: 4-cyano-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]-4-cyanobenzamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-4-cyano-benzamide Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H28N4OS/c1-20(28-26(31)23-11-9-21(18-27)10-12-23)25(24-8-5-17-32-24)30-15-13-29(14-16-30)19-22-6-3-2-4-7-22/h2-12,17,20,25H,13-16,19H2,1H3,(H,28,31)