(2-bromanyl-6-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2-bromanylbenzoate

Systemtic Name: (2-bromanyl-6-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2-bromanylbenzoate Openeye Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-bromo-6-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-bromo-6-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H19Br2NO3S MolecularWeight: 513.24276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Br)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H19Br2NO3S/c1-25-17-12-13(19(27)23-9-5-2-6-10-23)11-16(22)18(17)26-20(24)14-7-3-4-8-15(14)21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3