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

Systemtic Name: N-tert-butyl-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-benzyl-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-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-benzyl-N-tert-butyl-acetamide Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C22H25N3O2S2/c1-5-12-24-20(27)17-11-13-28-19(17)23-21(24)29-15-18(26)25(22(2,3)4)14-16-9-7-6-8-10-16/h5-11,13H,1,12,14-15H2,2-4H3