[3,5-bis(chloranyl)-4-[(2-fluorophenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: [3,5-bis(chloranyl)-4-[(2-fluorophenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methanethione CAS Name: [3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazino)-[3,5-dichloro-4-(2-fluorobenzyl)oxy-phenyl]methanethione Formula: C25H23Cl2FN2OS MolecularWeight: 489.432323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4F)Cl

InChI

InChI=1S/C25H23Cl2FN2OS/c26-21-14-20(15-22(27)24(21)31-17-19-8-4-5-9-23(19)28)25(32)30-12-10-29(11-13-30)16-18-6-2-1-3-7-18/h1-9,14-15H,10-13,16-17H2