N-butan-2-yl-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-butan-2-yl-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[(3-homoveratryl-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]-N-sec-butyl-acetamide Formula: C26H29N3O4S2 MolecularWeight: 511.65616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C42

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CCC3=CC(=C(C=C3)OC)OC)SC4=CC=CC=C42

InChI

InChI=1S/C26H29N3O4S2/c1-5-16(2)27-22(30)15-34-26-28-23-18-8-6-7-9-21(18)35-24(23)25(31)29(26)13-12-17-10-11-19(32-3)20(14-17)33-4/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,27,30)