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

Systemtic Name: [3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [3-bromo-4-(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=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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