N-[2,5-dimethyl-3-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoyl)pyrrol-1-yl]benzamide

Systemtic Name: N-[2,5-dimethyl-3-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoyl)pyrrol-1-yl]benzamide Openeye Name: N-[2,5-dimethyl-3-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)pyrrol-1-yl]benzamide CAS Name: N-[2,5-dimethyl-3-[1-oxo-2-(4-thieno[3,2-d]pyrimidinylthio)ethyl]-1-pyrrolyl]benzamide IUPAC Name: N-[2,5-dimethyl-3-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)pyrrol-1-yl]benzamide Traditional Name: N-[2,5-dimethyl-3-[2-(thieno[3,2-d]pyrimidin-4-ylthio)acetyl]pyrrol-1-yl]benzamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3SC=C4

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3SC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-13-10-16(14(2)25(13)24-20(27)15-6-4-3-5-7-15)18(26)11-29-21-19-17(8-9-28-19)22-12-23-21/h3-10,12H,11H2,1-2H3,(H,24,27)