3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[4-(diphenylmethyl)piperazin-1-yl]carbothioyl-4-phenethyloxy-benzamide Openeye Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-phenethyloxybenzamide Traditional Name: N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-phenethyloxy-benzamide Formula: C33H32BrN3O2S MolecularWeight: 614.59508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC(=C(C=C4)OCCC5=CC=CC=C5)Br

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)C4=CC(=C(C=C4)OCCC5=CC=CC=C5)Br

InChI

InChI=1S/C33H32BrN3O2S/c34-29-24-28(16-17-30(29)39-23-18-25-10-4-1-5-11-25)32(38)35-33(40)37-21-19-36(20-22-37)31(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,24,31H,18-23H2,(H,35,38,40)