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

Systemtic Name: (2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) benzoate Openeye Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] benzoate CAS Name: benzoic acid [2,6-dimethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] benzoate Traditional Name: benzoic acid [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-24-17-13-16(20(27)22-11-7-4-8-12-22)14-18(25-2)19(17)26-21(23)15-9-5-3-6-10-15/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3