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

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-2,5-dimethoxy-phenyl]benzamide Openeye Name: N-[4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-2,5-dimethoxy-phenyl]benzamide CAS Name: N-[4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-2,5-dimethoxyphenyl]benzamide IUPAC Name: N-[4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-2,5-dimethoxyphenyl]benzamide Traditional Name: N-[4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-2,5-dimethoxy-phenyl]benzamide Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H26N2O6S/c1-31-22-15-20(28-26(30)17-7-4-3-5-8-17)23(32-2)14-19(22)27-25(29)16-35-18-9-10-21-24(13-18)34-12-6-11-33-21/h3-5,7-10,13-15H,6,11-12,16H2,1-2H3,(H,27,29)(H,28,30)