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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(tert-butylcarbamoyl)acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(tert-butylcarbamoyl)acetamide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S2/c1-6-11-27-20(29)18-16(15-9-7-14(2)8-10-15)12-31-19(18)25-22(27)32-13-17(28)24-21(30)26-23(3,4)5/h6-10,12H,1,11,13H2,2-5H3,(H2,24,26,28,30)