4-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H30N4OS MolecularWeight: 410.5755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C

InChI

InChI=1S/C23H30N4OS/c1-23(2,3)18-11-9-17(10-12-18)21(28)25-22(29)24-19-7-5-6-8-20(19)27-15-13-26(4)14-16-27/h5-12H,13-16H2,1-4H3,(H2,24,25,28,29)