N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(1-ethylbenzimidazol-2-yl)thio]acetamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-3-23-16-7-5-4-6-14(16)22-20(23)28-10-19(25)21-15-9-18-17(26-11-27-18)8-13(15)12(2)24/h4-9H,3,10-11H2,1-2H3,(H,21,25)