ethyl 4-[[2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-[(3-bromophenyl)methylsulfanyl]pyridin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[(3-bromophenyl)methylthio]-3-pyridinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(3-bromobenzyl)thio]nicotinoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-2-28-21(27)25-11-8-17(9-12-25)24-19(26)18-7-4-10-23-20(18)29-14-15-5-3-6-16(22)13-15/h3-7,10,13,17H,2,8-9,11-12,14H2,1H3,(H,24,26)