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

Systemtic Name: 3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-chloranyl-2-fluoranyl-phenyl)propanamide Openeye Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-chloro-2-fluoro-phenyl)propanamide CAS Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(4-chloro-2-fluorophenyl)propanamide IUPAC Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(4-chloro-2-fluorophenyl)propanamide Traditional Name: 3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(4-chloro-2-fluoro-phenyl)propionamide Formula: C17H14Cl2FNO3S MolecularWeight: 402.267363

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCCC(=O)NC3=C(C=C(C=C3)Cl)F)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCCC(=O)NC3=C(C=C(C=C3)Cl)F)Cl

InChI

InChI=1S/C17H14Cl2FNO3S/c18-11-1-2-14(13(20)7-11)21-16(22)3-4-25-8-10-5-12(19)17-15(6-10)23-9-24-17/h1-2,5-7H,3-4,8-9H2,(H,21,22)