2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-[3-(methylthio)phenyl]acetamide Formula: C19H20ClNO3S2 MolecularWeight: 409.95

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H20ClNO3S2/c1-25-15-5-2-4-14(10-15)21-18(22)12-26-11-13-8-16(20)19-17(9-13)23-6-3-7-24-19/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H,21,22)