2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[3-(phenylcarbamoylamino)phenyl]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N5O2S/c1-14-11-15(2)23-21(22-14)29-13-19(27)24-17-9-6-10-18(12-17)26-20(28)25-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,24,27)(H2,25,26,28)