(2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-bromanylbenzoate

Systemtic Name: (2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 4-bromanylbenzoate Openeye Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2,6-dimethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)Br)OC)C(=S)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)Br)OC)C(=S)N3CCCCC3

InChI

InChI=1S/C21H22BrNO4S/c1-25-17-12-15(20(28)23-10-4-3-5-11-23)13-18(26-2)19(17)27-21(24)14-6-8-16(22)9-7-14/h6-9,12-13H,3-5,10-11H2,1-2H3