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

Systemtic Name: [5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]-piperidin-1-yl-methanethione Openeye Name: [5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-(1-piperidyl)methanethione CAS Name: [5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-(1-piperidinyl)methanethione IUPAC Name: [5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]-piperidin-1-ylmethanethione Traditional Name: [5-bromo-2-(3-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=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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