(3-bromanyl-4,5-dimethoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-4,5-dimethoxy-phenyl)methanethione CAS Name: (3-bromo-4,5-dimethoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-4,5-dimethoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-bromo-4,5-dimethoxy-phenyl)methanethione Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C20H23BrN2O2S/c1-24-18-13-16(12-17(21)19(18)25-2)20(26)23-10-8-22(9-11-23)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3