2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H20N2O4S/c1-13(22)20-14-3-6-16(7-4-14)26-12-19(23)21-15-5-8-17-18(11-15)25-10-2-9-24-17/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)(H,21,23)