(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-(4-methylpiperidin-1-yl)methanethione

Systemtic Name: (2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-(4-methylpiperidin-1-yl)methanethione Openeye Name: (4-benzyloxy-2-bromo-5-methoxy-phenyl)-(4-methyl-1-piperidyl)methanethione CAS Name: (2-bromo-5-methoxy-4-phenylmethoxyphenyl)-(4-methyl-1-piperidinyl)methanethione IUPAC Name: (2-bromo-5-methoxy-4-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanethione Traditional Name: (4-benzoxy-2-bromo-5-methoxy-phenyl)-(4-methylpiperidino)methanethione Formula: C21H24BrNO2S MolecularWeight: 434.38976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC(=C(C=C2Br)OCC3=CC=CC=C3)OC

InChI

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