N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-2-(4-thieno[3,2-d]pyrimidinylthio)acetamide IUPAC Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(thieno[3,2-d]pyrimidin-4-ylthio)acetamide Formula: C22H20N4O3S3 MolecularWeight: 484.6142

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3SC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3SC=C4

InChI

InChI=1S/C22H20N4O3S3/c1-26(13-16-5-3-2-4-6-16)32(28,29)18-9-7-17(8-10-18)25-20(27)14-31-22-21-19(11-12-30-21)23-15-24-22/h2-12,15H,13-14H2,1H3,(H,25,27)