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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[3-isopentyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]thio]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[[3-isoamyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NCC=C)SC=C2C3=CC=CS3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC(=O)NCC=C)SC=C2C3=CC=CS3

InChI

InChI=1S/C21H24N4O3S3/c1-4-8-22-20(28)23-16(26)12-31-21-24-18-17(19(27)25(21)9-7-13(2)3)14(11-30-18)15-6-5-10-29-15/h4-6,10-11,13H,1,7-9,12H2,2-3H3,(H2,22,23,26,28)