methyl 2-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(4-bromophenyl)-4-hydroxy-piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H21BrN2O3S/c1-26-18(24)16-4-2-3-5-17(16)22-19(27)23-12-10-20(25,11-13-23)14-6-8-15(21)9-7-14/h2-9,25H,10-13H2,1H3,(H,22,27)