2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-phenylpropyl)acetamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCCC3=CC=CC=C3)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NCCCC3=CC=CC=C3)SC=C2

InChI

InChI=1S/C20H21N3O2S2/c1-2-12-23-19(25)16-10-13-26-18(16)22-20(23)27-14-17(24)21-11-6-9-15-7-4-3-5-8-15/h2-5,7-8,10,13H,1,6,9,11-12,14H2,(H,21,24)