[4-[(4-bromophenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: [4-[(4-bromophenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-[4-[(4-bromophenyl)methoxy]phenyl]methanethione CAS Name: [4-[(4-bromophenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[4-[(4-bromophenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazino)-[4-(4-bromobenzyl)oxyphenyl]methanethione Formula: C25H25BrN2OS MolecularWeight: 481.4478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN2OS/c26-23-10-6-21(7-11-23)19-29-24-12-8-22(9-13-24)25(30)28-16-14-27(15-17-28)18-20-4-2-1-3-5-20/h1-13H,14-19H2