methyl 4-[[2-[(4-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-[(4-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-[(4-bromophenyl)methylthio]-3-pyridinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-[(4-bromobenzyl)thio]nicotinoyl]amino]benzoic acid methyl ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-27-21(26)15-6-10-17(11-7-15)24-19(25)18-3-2-12-23-20(18)28-13-14-4-8-16(22)9-5-14/h2-12H,13H2,1H3,(H,24,25)