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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-(4-methylpiperidino)methanethione Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-14-6-8-23(9-7-14)21(29)16-11-18(22)20(19(12-16)27-2)28-13-15-4-3-5-17(10-15)24(25)26/h3-5,10-12,14H,6-9,13H2,1-2H3