4-bromanyl-N-[(2S)-1-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(2S)-1-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-bromo-N-[(1S)-2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-1-methyl-2-oxo-ethyl]benzamide CAS Name: 4-bromo-N-[(2S)-1-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-1-oxopropan-2-yl]benzamide IUPAC Name: 4-bromo-N-[(2S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-1-oxopropan-2-yl]benzamide Traditional Name: 4-bromo-N-[(1S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-2-keto-1-methyl-ethyl]benzamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2S/c1-13-12-14(2)25-22(24-13)30-19-10-8-18(9-11-19)27-20(28)15(3)26-21(29)16-4-6-17(23)7-5-16/h4-12,15H,1-3H3,(H,26,29)(H,27,28)/t15-/m0/s1