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

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-4,5-diethoxy-phenyl)methanethione CAS Name: (3-bromo-4,5-diethoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-4,5-diethoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-bromo-4,5-diethoxy-phenyl)methanethione Formula: C22H27BrN2O2S MolecularWeight: 463.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O2S/c1-3-26-20-15-18(14-19(23)21(20)27-4-2)22(28)25-12-10-24(11-13-25)16-17-8-6-5-7-9-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3