4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O2S2/c1-11-12(2)28-20(17(11)18(21)25)24-19(26)13(3)27-16-9-15(22-10-23-16)14-7-5-4-6-8-14/h4-10,13H,1-3H3,(H2,21,25)(H,24,26)