N-[1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-4-piperidyl]benzamide CAS Name: N-[1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-4-piperidyl]benzamide 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)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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