[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C22H24N4O3S3 MolecularWeight: 488.64596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C22H24N4O3S3/c1-16-14-17(2)24-22(23-16)31-15-18-6-3-4-7-19(18)21(27)25-9-11-26(12-10-25)32(28,29)20-8-5-13-30-20/h3-8,13-14H,9-12,15H2,1-2H3