1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C16H19BrN4O3S3 MolecularWeight: 491.44606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C16H19BrN4O3S3/c1-11-9-12(2)19-16(18-11)25-10-14(22)20-5-7-21(8-6-20)27(23,24)15-4-3-13(17)26-15/h3-4,9H,5-8,10H2,1-2H3