2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-N-(2,6-diethylphenyl)acetamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C21H24ClNO3S/c1-3-15-6-5-7-16(4-2)20(15)23-19(24)13-27-12-14-10-17(22)21-18(11-14)25-8-9-26-21/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,23,24)