2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(1-phenylethyl)propionamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C20H21N3O2S2/c1-4-11-23-19(25)16-10-12-26-18(16)22-20(23)27-14(3)17(24)21-13(2)15-8-6-5-7-9-15/h4-10,12-14H,1,11H2,2-3H3,(H,21,24)