(2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: (2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: (2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methyl-2-(2-thienylsulfonylamino)butanamide CAS Name: (2S)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: (2S)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: (2S)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-methyl-2-(2-thienylsulfonylamino)butyramide Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H24N4O3S3/c1-13(2)19(25-31(27,28)18-6-5-11-29-18)20(26)24-16-7-9-17(10-8-16)30-21-22-14(3)12-15(4)23-21/h5-13,19,25H,1-4H3,(H,24,26)/t19-/m0/s1