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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-piperonyl-propionamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O4S2/c1-4-8-25-21(27)16-10-15(5-2)31-20(16)24-22(25)30-13(3)19(26)23-11-14-6-7-17-18(9-14)29-12-28-17/h4,6-7,9-10,13H,1,5,8,11-12H2,2-3H3,(H,23,26)