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

Systemtic Name: (5-bromanyl-2-ethoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(5-bromo-2-ethoxy-phenyl)methanethione CAS Name: (5-bromo-2-ethoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(5-bromo-2-ethoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(5-bromo-2-ethoxy-phenyl)methanethione Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2OS/c1-2-24-19-9-8-17(21)14-18(19)20(25)23-12-10-22(11-13-23)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3