(4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 2-chloranylbenzoate

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 2-chloranylbenzoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-bromo-2-(piperidine-1-carbothioyl)phenyl] ester Formula: C19H17BrClNO2S MolecularWeight: 438.76578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(CC1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H17BrClNO2S/c20-13-8-9-17(24-19(23)14-6-2-3-7-16(14)21)15(12-13)18(25)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11H2