N-butyl-2-[[3-(4-ethoxyphenyl)-7-oxidanylidene-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-ethyl-ethanamide

Systemtic Name: N-butyl-2-[[3-(4-ethoxyphenyl)-7-oxidanylidene-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-ethyl-ethanamide Openeye Name: N-butyl-2-[[3-(4-ethoxyphenyl)-7-oxo-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-ethyl-acetamide CAS Name: N-butyl-2-[[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-5-yl]thio]-N-ethylacetamide IUPAC Name: N-butyl-2-[[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-ethylacetamide Traditional Name: N-butyl-N-ethyl-2-[(7-keto-3-p-phenetyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-5-yl)thio]acetamide Formula: C21H26N4O3S3 MolecularWeight: 478.65114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCN(CC)C(=O)CSC1=NC(=O)C2=C(N1)N(C(=S)S2)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H26N4O3S3/c1-4-7-12-24(5-2)16(26)13-30-20-22-18-17(19(27)23-20)31-21(29)25(18)14-8-10-15(11-9-14)28-6-3/h8-11H,4-7,12-13H2,1-3H3,(H,22,23,27)