(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 4-bromanylbenzoate

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 4-bromanylbenzoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-bromo-2-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H17Br2NO2S MolecularWeight: 483.21678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17Br2NO2S/c20-14-6-4-13(5-7-14)19(23)24-17-9-8-15(21)12-16(17)18(25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2