N-cyclopropyl-2-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-2-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)SC=C2

InChI

InChI=1S/C21H20N4O3S2/c1-2-10-25-20(28)15-9-11-29-19(15)24-21(25)30-12-17(26)23-16-6-4-3-5-14(16)18(27)22-13-7-8-13/h2-6,9,11,13H,1,7-8,10,12H2,(H,22,27)(H,23,26)