(2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) naphthalene-1-carboxylate

Systemtic Name: (2-bromanyl-6-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) naphthalene-1-carboxylate Openeye Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-6-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-6-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C24H22BrNO4S MolecularWeight: 500.40478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CCOCC2)Br)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H22BrNO4S/c1-2-29-21-15-17(23(31)26-10-12-28-13-11-26)14-20(25)22(21)30-24(27)19-9-5-7-16-6-3-4-8-18(16)19/h3-9,14-15H,2,10-13H2,1H3