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

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) naphthalene-1-carboxylate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C22H18BrNO3S MolecularWeight: 456.35222

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18BrNO3S/c23-16-8-9-20(19(14-16)21(28)24-10-12-26-13-11-24)27-22(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14H,10-13H2