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

Systemtic Name: N-(3-methylbutyl)-2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-isopentyl-acetamide CAS Name: N-(3-methylbutyl)-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-6-phenyl-thieno[3,2-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(=O)N1CC=C)SC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=C(C(=O)N1CC=C)SC(=C2)C3=CC=CC=C3

InChI

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