(2S)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propyl-propanamide Openeye Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propyl-propanamide CAS Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-propylpropanamide IUPAC Name: (2S)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propylpropanamide Traditional Name: (2S)-2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-propyl-propionamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CCCNC(=O)[C@H](C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C19H21N3O2S2/c1-3-9-20-17(23)12(2)25-11-15-21-18(24)16-14(10-26-19(16)22-15)13-7-5-4-6-8-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,23)(H,21,22,24)/t12-/m0/s1