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

Systemtic Name: (2-chloranyl-4-morpholin-4-ylcarbothioyl-phenyl) 2-bromanylbenzoate Openeye Name: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-chloro-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-chloro-4-(morpholine-4-carbothioyl)phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-chloro-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H15BrClNO3S MolecularWeight: 440.7386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Br)Cl

Isomeric SMILES

C1COCCN1C(=S)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Br)Cl

InChI

InChI=1S/C18H15BrClNO3S/c19-14-4-2-1-3-13(14)18(22)24-16-6-5-12(11-15(16)20)17(25)21-7-9-23-10-8-21/h1-6,11H,7-10H2