2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(3-piperidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[(3-piperidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[[3-[oxo(1-piperidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[3-(piperidine-1-carbonyl)benzyl]acetamide Formula: C23H27BrN2O2S MolecularWeight: 475.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C23H27BrN2O2S/c1-16-12-21(17(2)11-20(16)24)29-15-22(27)25-14-18-7-6-8-19(13-18)23(28)26-9-4-3-5-10-26/h6-8,11-13H,3-5,9-10,14-15H2,1-2H3,(H,25,27)