[3-bromanyl-4-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: [3-bromanyl-4-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-[3-bromo-4-(p-tolylmethoxy)phenyl]methanethione CAS Name: [3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazino)-[3-bromo-4-(4-methylbenzyl)oxy-phenyl]methanethione Formula: C26H27BrN2OS MolecularWeight: 495.47438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=S)N3CCN(CC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C26H27BrN2OS/c1-20-7-9-22(10-8-20)19-30-25-12-11-23(17-24(25)27)26(31)29-15-13-28(14-16-29)18-21-5-3-2-4-6-21/h2-12,17H,13-16,18-19H2,1H3