(2S)-N-(2-methylpropyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-methylpropyl)-2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-isobutyl-2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(2-methylpropyl)-2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-isobutyl-2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)SC1=NC2=C(C=CS2)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2S2/c1-12(2)11-20-16(23)13(3)26-19-21-17-15(9-10-25-17)18(24)22(19)14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3,(H,20,23)/t13-/m0/s1