4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoylamino]benzamide

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoylamino]benzamide Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoylamino]benzamide CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoylamino]benzamide Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanoylamino]benzamide Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC3=C(C=C2)OCCCO3

InChI

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