2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[3-(methylthio)phenyl]acetamide Formula: C18H19NO3S2 MolecularWeight: 361.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H19NO3S2/c1-23-14-5-2-4-13(10-14)19-18(20)12-24-15-6-7-16-17(11-15)22-9-3-8-21-16/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,19,20)