N-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]propionamide Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O3S2/c1-13(20(26)25-15-7-8-17-18(9-15)28-12-27-17)29-21-16-10-19(14-5-3-2-4-6-14)30-22(16)24-11-23-21/h2-11,13H,12H2,1H3,(H,25,26)