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

Systemtic Name: (2,6-dimethoxy-4-piperidin-1-ylcarbothioyl-phenyl) 2-chloranylbenzoate Openeye Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [2,6-dimethoxy-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2Cl)OC)C(=S)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2Cl)OC)C(=S)N3CCCCC3

InChI

InChI=1S/C21H22ClNO4S/c1-25-17-12-14(20(28)23-10-6-3-7-11-23)13-18(26-2)19(17)27-21(24)15-8-4-5-9-16(15)22/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3