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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O3S/c1-11(2)18-20-12(3)6-17(21-18)25-9-16(22)19-8-13-4-5-14-15(7-13)24-10-23-14/h4-7,11H,8-10H2,1-3H3,(H,19,22)