2-(4-bromanylphenoxy)-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-bromophenoxy)acetamide CAS Name: 2-(4-bromophenoxy)-N-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[[4-(4-benzylpiperazino)phenyl]thiocarbamoyl]-2-(4-bromophenoxy)acetamide Formula: C26H27BrN4O2S MolecularWeight: 539.48718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H27BrN4O2S/c27-21-6-12-24(13-7-21)33-19-25(32)29-26(34)28-22-8-10-23(11-9-22)31-16-14-30(15-17-31)18-20-4-2-1-3-5-20/h1-13H,14-19H2,(H2,28,29,32,34)