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

Systemtic Name: 2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCC=C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NCC=C)CC=C

InChI

InChI=1S/C21H21N3O2S2/c1-4-10-22-17(25)13-28-21-23-19-18(20(26)24(21)11-5-2)16(12-27-19)15-8-6-14(3)7-9-15/h4-9,12H,1-2,10-11,13H2,3H3,(H,22,25)