1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-N-phenyl-isonipecotamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O2S/c1-15-13-17(22)7-8-19(15)27-14-20(25)24-11-9-16(10-12-24)21(26)23-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,26)