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

Systemtic Name: 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiophene-3-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S2/c1-4-16(20(27)25-21-18(19(22)26)12(2)13(3)28-21)29-17-10-15(23-11-24-17)14-8-6-5-7-9-14/h5-11,16H,4H2,1-3H3,(H2,22,26)(H,25,27)