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

Systemtic Name: N-(3-methylbutyl)-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-isopentyl-acetamide CAS Name: N-(3-methylbutyl)-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methylbutyl)-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-isoamyl-acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-4-12-25-21(27)19-17(16-8-6-5-7-9-16)13-28-20(19)24-22(25)29-14-18(26)23-11-10-15(2)3/h4-9,13,15H,1,10-12,14H2,2-3H3,(H,23,26)