N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-oxo-2-(phenacylthio)-3-thieno[3,2-d]pyrimidinyl]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-oxo-2-phenacylsulfanylthieno[3,2-d]pyrimidin-3-yl)butanamide Traditional Name: 4-[4-keto-2-(phenacylthio)thieno[3,2-d]pyrimidin-3-yl]-N-piperonyl-butyramide Formula: C26H23N3O5S2 MolecularWeight: 521.60792

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=C(C=CS4)N=C3SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=C(C=CS4)N=C3SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O5S2/c30-20(18-5-2-1-3-6-18)15-36-26-28-19-10-12-35-24(19)25(32)29(26)11-4-7-23(31)27-14-17-8-9-21-22(13-17)34-16-33-21/h1-3,5-6,8-10,12-13H,4,7,11,14-16H2,(H,27,31)