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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: 2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]-N-piperonyl-propionamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S2/c1-14(21(27)24-10-15-7-8-18-19(9-15)29-13-28-18)31-23-20-17(16-5-3-2-4-6-16)11-30-22(20)25-12-26-23/h2-9,11-12,14H,10,13H2,1H3,(H,24,27)