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

Systemtic Name: N-(4-tert-butylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-tert-butylphenyl)propanamide CAS Name: N-(4-tert-butylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-tert-butylphenyl)propionamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-6-12-25-20(27)17-11-13-28-19(17)24-21(25)29-14(2)18(26)23-16-9-7-15(8-10-16)22(3,4)5/h6-11,13-14H,1,12H2,2-5H3,(H,23,26)