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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-morpholin-4-yl-methanethione Openeye Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-morpholino-methanethione CAS Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-(4-morpholinyl)methanethione IUPAC Name: [3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione Traditional Name: [3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]-morpholino-methanethione Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN2O5S/c1-25-17-11-14(19(28)21-5-7-26-8-6-21)10-16(20)18(17)27-12-13-3-2-4-15(9-13)22(23)24/h2-4,9-11H,5-8,12H2,1H3