2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propionamide Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H18ClNO4S/c1-11(22)14-3-5-15(6-4-14)21-19(23)12(2)26-9-13-7-16(20)18-17(8-13)24-10-25-18/h3-8,12H,9-10H2,1-2H3,(H,21,23)