2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N4O2S2/c1-16-14-18(17-6-3-2-4-7-17)24-22(23-16)30-15-20(27)25-9-11-26(12-10-25)21(28)19-8-5-13-29-19/h2-8,13-14H,9-12,15H2,1H3