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

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) benzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] benzoate CAS Name: benzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] benzoate Traditional Name: benzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H16BrNO3S MolecularWeight: 406.29354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrNO3S/c19-14-6-7-16(23-18(21)13-4-2-1-3-5-13)15(12-14)17(24)20-8-10-22-11-9-20/h1-7,12H,8-11H2