N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2S/c1-2-6-26(33)32-19-17-31(18-20-32)25-15-13-24(14-16-25)29-28(35)30-27(34)23-11-9-22(10-12-23)21-7-4-3-5-8-21/h3-5,7-16H,2,6,17-20H2,1H3,(H2,29,30,34,35)