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

Systemtic Name: [3-bromanyl-4-[(4-nitrophenyl)methoxy]phenyl]-piperidin-1-yl-methanethione Openeye Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-(1-piperidyl)methanethione CAS Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-(1-piperidinyl)methanethione IUPAC Name: [3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-piperidin-1-ylmethanethione Traditional Name: [3-bromo-4-(4-nitrobenzyl)oxy-phenyl]-piperidino-methanethione Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H19BrN2O3S/c20-17-12-15(19(26)21-10-2-1-3-11-21)6-9-18(17)25-13-14-4-7-16(8-5-14)22(23)24/h4-9,12H,1-3,10-11,13H2