(5-bromanyl-2-phenylmethoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (2-benzyloxy-5-bromo-phenyl)-(4-benzylpiperazin-1-yl)methanethione CAS Name: (5-bromo-2-phenylmethoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(5-bromo-2-phenylmethoxyphenyl)methanethione Traditional Name: (2-benzoxy-5-bromo-phenyl)-(4-benzylpiperazino)methanethione Formula: C25H25BrN2OS MolecularWeight: 481.4478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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