methyl 2-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C23H22BrN3O2S2 MolecularWeight: 516.47368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H22BrN3O2S2/c1-29-22(28)18-7-2-3-8-19(18)26-23(30)27-11-9-15(10-12-27)21-25-20(14-31-21)16-5-4-6-17(24)13-16/h2-8,13-15H,9-12H2,1H3,(H,26,30)