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

Systemtic Name: N-(4-tert-butylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-tert-butylphenyl)acetamide CAS Name: N-(4-tert-butylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-tert-butylphenyl)acetamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C21H23N3O2S2/c1-5-11-24-19(26)16-10-12-27-18(16)23-20(24)28-13-17(25)22-15-8-6-14(7-9-15)21(2,3)4/h5-10,12H,1,11,13H2,2-4H3,(H,22,25)