N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionamide Formula: C22H19N3O4S3 MolecularWeight: 485.59896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C22H19N3O4S3/c1-3-25-21(27)18-14(17-5-4-8-30-17)10-31-20(18)24-22(25)32-12(2)19(26)23-13-6-7-15-16(9-13)29-11-28-15/h4-10,12H,3,11H2,1-2H3,(H,23,26)