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

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoylamino]-N-(2-methoxyphenyl)benzamide Openeye Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoylamino]-N-(2-methoxyphenyl)benzamide CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxopropyl]amino]-N-(2-methoxyphenyl)benzamide IUPAC Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoylamino]-N-(2-methoxyphenyl)benzamide Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanoylamino]-N-(2-methoxyphenyl)benzamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C26H26N2O5S/c1-17(34-20-12-13-23-24(16-20)33-15-5-14-32-23)25(29)27-19-10-8-18(9-11-19)26(30)28-21-6-3-4-7-22(21)31-2/h3-4,6-13,16-17H,5,14-15H2,1-2H3,(H,27,29)(H,28,30)