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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-piperonyl-acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O3S/c1-14-9-17(16-5-3-2-4-6-16)24-21(23-14)28-12-20(25)22-11-15-7-8-18-19(10-15)27-13-26-18/h2-10H,11-13H2,1H3,(H,22,25)