(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-methoxybenzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-methoxybenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3

InChI

InChI=1S/C19H18BrNO4S/c1-23-15-5-2-13(3-6-15)19(22)25-17-7-4-14(20)12-16(17)18(26)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3