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

Systemtic Name: (2-methoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-bromanylbenzoate Openeye Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-methoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-methoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3S/c1-24-18-13-15(19(26)22-11-3-2-4-12-22)7-10-17(18)25-20(23)14-5-8-16(21)9-6-14/h5-10,13H,2-4,11-12H2,1H3