[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-piperidin-1-yl-methanethione

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-piperidin-1-yl-methanethione Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(1-piperidyl)methanethione CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-(1-piperidinyl)methanethione IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-piperidin-1-ylmethanethione Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-phenyl]-piperidino-methanethione Formula: C21H23BrFNO2S MolecularWeight: 452.380223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C21H23BrFNO2S/c1-2-25-19-13-16(21(27)24-10-6-3-7-11-24)12-17(22)20(19)26-14-15-8-4-5-9-18(15)23/h4-5,8-9,12-13H,2-3,6-7,10-11,14H2,1H3