N-(1,3-benzodioxol-5-ylmethyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-ethyl-3-(2-furylmethyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-ethyl-3-(2-furanylmethyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide Traditional Name: 2-[[6-ethyl-3-(2-furfuryl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]-N-piperonyl-propionamide Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N3O5S2/c1-3-17-10-18-22(34-17)26-24(27(23(18)29)12-16-5-4-8-30-16)33-14(2)21(28)25-11-15-6-7-19-20(9-15)32-13-31-19/h4-10,14H,3,11-13H2,1-2H3,(H,25,28)