N-butyl-N-methyl-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-butyl-N-methyl-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-butyl-N-methyl-acetamide CAS Name: N-butyl-N-methyl-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-butyl-N-methyl-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-butyl-N-methyl-acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

Isomeric SMILES

CCCCN(C)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-4-6-13-24(3)18(26)15-29-22-23-20-19(21(27)25(22)12-5-2)17(14-28-20)16-10-8-7-9-11-16/h5,7-11,14H,2,4,6,12-13,15H2,1,3H3