[5-bromanyl-2-[(4-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione

Systemtic Name: [5-bromanyl-2-[(4-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [5-bromo-2-(4-nitrobenzyl)oxy-phenyl]-(4-methylpiperidino)methanethione Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O3S/c1-14-8-10-22(11-9-14)20(27)18-12-16(21)4-7-19(18)26-13-15-2-5-17(6-3-15)23(24)25/h2-7,12,14H,8-11,13H2,1H3