2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H24N2O5S/c1-14-4-6-17(26-2)16(10-14)23-20(24)12-22-21(25)13-29-15-5-7-18-19(11-15)28-9-3-8-27-18/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,25)(H,23,24)