2-[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]piperazino]-N-phenyl-acetamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2S/c1-16-13-17(22)7-8-19(16)28-15-21(27)25-11-9-24(10-12-25)14-20(26)23-18-5-3-2-4-6-18/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)