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

Systemtic Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-[3-ethoxy-4-(p-tolylmethoxy)phenyl]methanethione CAS Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methanethione Traditional Name: (4-benzylpiperazino)-[3-ethoxy-4-(4-methylbenzyl)oxy-phenyl]methanethione Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=C(C=C4)C

InChI

InChI=1S/C28H32N2O2S/c1-3-31-27-19-25(13-14-26(27)32-21-24-11-9-22(2)10-12-24)28(33)30-17-15-29(16-18-30)20-23-7-5-4-6-8-23/h4-14,19H,3,15-18,20-21H2,1-2H3