N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-ethyl-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-3-26(13-17-9-10-20-21(12-17)29-15-28-20)22(27)14-30-23-24-16(2)11-19(25-23)18-7-5-4-6-8-18/h4-12H,3,13-15H2,1-2H3