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

Systemtic Name: (3-ethoxy-4-phenylmethoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)-(4-benzylpiperazin-1-yl)methanethione CAS Name: (3-ethoxy-4-phenylmethoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-ethoxy-4-phenylmethoxyphenyl)methanethione Traditional Name: (4-benzoxy-3-ethoxy-phenyl)-(4-benzylpiperazino)methanethione Formula: C27H30N2O2S MolecularWeight: 446.6043

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2S/c1-2-30-26-19-24(13-14-25(26)31-21-23-11-7-4-8-12-23)27(32)29-17-15-28(16-18-29)20-22-9-5-3-6-10-22/h3-14,19H,2,15-18,20-21H2,1H3