N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C18H17N3O2S2/c1-12(22)15(9-13-5-3-2-4-6-13)21-16(23)10-25-18-14-7-8-24-17(14)19-11-20-18/h2-8,11,15H,9-10H2,1H3,(H,21,23)/t15-/m0/s1