[2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenyl] 4-methylbenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-piperidin-1-ylcarbothioyl-phenyl] 4-methylbenzoate Openeye Name: [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2,6-dibromo-4-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2,6-dibromo-4-(piperidine-1-carbothioyl)phenyl] ester Formula: C20H19Br2NO2S MolecularWeight: 497.24336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCCCC3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCCCC3)Br

InChI

InChI=1S/C20H19Br2NO2S/c1-13-5-7-14(8-6-13)20(24)25-18-16(21)11-15(12-17(18)22)19(26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3