(2S)-N-(4-methylphenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: (2S)-2-phenyl-N-(p-tolyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: (2S)-2-phenyl-N-(p-tolyl)-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H17N3OS2/c1-14-7-9-16(10-8-14)24-19(25)18(15-5-3-2-4-6-15)27-21-17-11-12-26-20(17)22-13-23-21/h2-13,18H,1H3,(H,24,25)/t18-/m0/s1