N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: 3,5-dimethyl-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C24H30N4O2S MolecularWeight: 438.5856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C24H30N4O2S/c1-4-5-22(29)28-12-10-27(11-13-28)21-8-6-20(7-9-21)25-24(31)26-23(30)19-15-17(2)14-18(3)16-19/h6-9,14-16H,4-5,10-13H2,1-3H3,(H2,25,26,30,31)