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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C23H18N4O2S3 MolecularWeight: 478.60962

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)CC#N)SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)CC#N)SC=C2C4=CC=CS4

InChI

InChI=1S/C23H18N4O2S3/c1-2-11-27-22(29)20-17(18-4-3-12-30-18)13-31-21(20)26-23(27)32-14-19(28)25-16-7-5-15(6-8-16)9-10-24/h2-8,12-13H,1,9,11,14H2,(H,25,28)