2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-cyclopropylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-cyclopropylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(cyclopropanecarbonyl)piperazino]ethanone Formula: C18H23BrN2O2S MolecularWeight: 411.35642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C18H23BrN2O2S/c1-12-10-16(13(2)9-15(12)19)24-11-17(22)20-5-7-21(8-6-20)18(23)14-3-4-14/h9-10,14H,3-8,11H2,1-2H3