N-(2-cyanoethyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C21H20N4O2S2/c1-3-12-25-20(27)17-10-14-28-18(17)23-21(25)29-15(2)19(26)24(13-7-11-22)16-8-5-4-6-9-16/h3-6,8-10,14-15H,1,7,12-13H2,2H3