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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-(4-methylpiperidin-1-yl)methanethione Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)-(4-methyl-1-piperidyl)methanethione CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-(4-methyl-1-piperidinyl)methanethione IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanethione Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-phenyl)-(4-methylpiperidino)methanethione Formula: C22H26BrNO2S MolecularWeight: 448.41634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCC(CC2)C)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCC(CC2)C)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26BrNO2S/c1-3-25-20-14-18(22(27)24-11-9-16(2)10-12-24)13-19(23)21(20)26-15-17-7-5-4-6-8-17/h4-8,13-14,16H,3,9-12,15H2,1-2H3