2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]benzamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]benzamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)N)C

InChI

InChI=1S/C21H20N4O2S2/c1-13-11-14(2)24-21(23-13)29-16-9-7-15(8-10-16)25-20(27)17-5-3-4-6-18(17)28-12-19(22)26/h3-11H,12H2,1-2H3,(H2,22,26)(H,25,27)