[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione

Systemtic Name: [5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [5-bromo-2-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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