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

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H24N2O5S/c1-30-20-9-7-19(8-10-20)27-25(29)17-3-5-18(6-4-17)26-24(28)16-33-21-11-12-22-23(15-21)32-14-2-13-31-22/h3-12,15H,2,13-14,16H2,1H3,(H,26,28)(H,27,29)