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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-piperidin-1-yl-methanethione Openeye Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(1-piperidyl)methanethione CAS Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(1-piperidinyl)methanethione IUPAC Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-piperidin-1-ylmethanethione Traditional Name: [3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-piperidino-methanethione Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O4S/c1-26-18-12-15(20(28)22-8-3-2-4-9-22)11-17(21)19(18)27-13-14-6-5-7-16(10-14)23(24)25/h5-7,10-12H,2-4,8-9,13H2,1H3