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

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N-(4-ethoxyphenyl)benzamide Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-N-p-phenetyl-benzamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H26N2O5S/c1-2-31-21-10-8-20(9-11-21)28-26(30)18-4-6-19(7-5-18)27-25(29)17-34-22-12-13-23-24(16-22)33-15-3-14-32-23/h4-13,16H,2-3,14-15,17H2,1H3,(H,27,29)(H,28,30)