(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzoate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzoate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)Br)OC)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)Br)OC)C(=S)N3CCOCC3

InChI

InChI=1S/C20H20BrNO5S/c1-24-16-11-14(19(28)22-7-9-26-10-8-22)12-17(25-2)18(16)27-20(23)13-3-5-15(21)6-4-13/h3-6,11-12H,7-10H2,1-2H3