2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(4-hydroxybenzoyl)piperazino]ethanone Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H23BrN2O3S/c1-14-12-19(15(2)11-18(14)22)28-13-20(26)23-7-9-24(10-8-23)21(27)16-3-5-17(25)6-4-16/h3-6,11-12,25H,7-10,13H2,1-2H3