2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-isopropyl-acetamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-propan-2-ylacetamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-isopropyl-acetamide Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSCC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CC(C)NC(=O)CSCC1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C13H16ClNO3S/c1-8(2)15-12(16)6-19-5-9-3-10(14)13-11(4-9)17-7-18-13/h3-4,8H,5-7H2,1-2H3,(H,15,16)