(2S)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propyl-propanamide

Systemtic Name: (2S)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propyl-propanamide Openeye Name: (2S)-2-(3-allyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: (2S)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-propylpropanamide IUPAC Name: (2S)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-propylpropanamide Traditional Name: (2S)-2-[(3-allyl-4-keto-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-propyl-propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C21H23N3O2S2/c1-4-11-22-18(25)14(3)27-21-23-19-16(20(26)24(21)12-5-2)13-17(28-19)15-9-7-6-8-10-15/h5-10,13-14H,2,4,11-12H2,1,3H3,(H,22,25)/t14-/m0/s1