[2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2,6-dibromo-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H23Br2NO5S MolecularWeight: 573.29472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCCCC3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCCCC3)Br

InChI

InChI=1S/C22H23Br2NO5S/c1-27-17-11-14(12-18(28-2)20(17)29-3)22(26)30-19-15(23)9-13(10-16(19)24)21(31)25-7-5-4-6-8-25/h9-12H,4-8H2,1-3H3