2-[3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl]-N-phenyl-acetamide CAS Name: 2-[3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]-N-phenylacetamide IUPAC Name: 2-[3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide Traditional Name: 2-(3-homopiperonyl-5-keto-1-methyl-2-thioxo-imidazolidin-4-yl)-N-phenyl-acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N(C1=S)CCC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(N(C1=S)CCC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-23-20(26)16(12-19(25)22-15-5-3-2-4-6-15)24(21(23)29)10-9-14-7-8-17-18(11-14)28-13-27-17/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25)