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

Systemtic Name: (4-bromanyl-2-piperidin-1-ylcarbothioyl-phenyl) 4-chloranylbenzoate Openeye Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-bromo-2-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(piperidine-1-carbothioyl)phenyl] 4-chlorobenzoate Traditional Name: 4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrClNO2S/c20-14-6-9-17(24-19(23)13-4-7-15(21)8-5-13)16(12-14)18(25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2