4-tert-butyl-N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[4-(2-thenoyl)piperazino]phenyl]benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N3O2S/c1-26(2,3)20-8-6-19(7-9-20)24(30)27-21-10-12-22(13-11-21)28-14-16-29(17-15-28)25(31)23-5-4-18-32-23/h4-13,18H,14-17H2,1-3H3,(H,27,30)