N-(1,3-benzodioxol-5-ylmethyl)-5-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)pentanamide Traditional Name: 5-(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-piperonyl-valeramide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C19H19N3O4S2/c23-16(20-10-12-4-5-14-15(9-12)26-11-25-14)3-1-2-7-22-18(24)17-13(6-8-28-17)21-19(22)27/h4-6,8-9H,1-3,7,10-11H2,(H,20,23)(H,21,27)