(2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzoate

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 4-bromanylbenzoate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC=C(C=C3)Br

InChI

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