N-tert-butyl-2-(4-oxidanylidene-3-phenyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-(4-oxidanylidene-3-phenyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[4-oxo-3-phenyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[(4-oxo-3-phenyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-tert-butyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-keto-3-phenyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C22H21N3O2S3 MolecularWeight: 455.61604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S3/c1-22(2,3)24-17(26)13-30-21-23-19-18(15(12-29-19)16-10-7-11-28-16)20(27)25(21)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3,(H,24,26)