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

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 4-isobutoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-(4-methyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 4-isobutoxy-N-[[2-(4-methylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C

InChI

InChI=1S/C23H30N4O2S/c1-17(2)16-29-19-10-8-18(9-11-19)22(28)25-23(30)24-20-6-4-5-7-21(20)27-14-12-26(3)13-15-27/h4-11,17H,12-16H2,1-3H3,(H2,24,25,28,30)