(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-piperidin-1-yl-methanethione

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-piperidin-1-yl-methanethione Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)-(1-piperidyl)methanethione CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-(1-piperidinyl)methanethione IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanethione Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-phenyl)-piperidino-methanethione Formula: C21H24BrNO2S MolecularWeight: 434.38976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrNO2S/c1-2-24-19-14-17(21(26)23-11-7-4-8-12-23)13-18(22)20(19)25-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3