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

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N-(2-methylpropyl)benzamide Openeye Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-isobutyl-benzamide CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-(2-methylpropyl)benzamide Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-N-isobutyl-benzamide Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H26N2O4S/c1-15(2)13-23-22(26)17-6-3-4-7-18(17)24-21(25)14-29-16-8-9-19-20(12-16)28-11-5-10-27-19/h3-4,6-9,12,15H,5,10-11,13-14H2,1-2H3,(H,23,26)(H,24,25)