[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-(4-methylpiperidin-1-yl)methanethione

Systemtic Name: [3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-phenyl]-(4-methylpiperidino)methanethione Formula: C21H23BrFNO2S MolecularWeight: 452.380223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrFNO2S/c1-14-7-9-24(10-8-14)21(27)16-11-18(22)20(19(12-16)25-2)26-13-15-3-5-17(23)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3