4-bromanyl-N-[3-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[4-[(4,6-dimethylpyrimidin-2-yl)thio]anilino]-3-keto-propyl]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)CCNC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2S/c1-14-13-15(2)26-22(25-14)30-19-9-7-18(8-10-19)27-20(28)11-12-24-21(29)16-3-5-17(23)6-4-16/h3-10,13H,11-12H2,1-2H3,(H,24,29)(H,27,28)