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

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzamide CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]amino]benzamide Traditional Name: N-benzyl-2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]amino]benzamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4)OC1

InChI

InChI=1S/C25H24N2O4S/c28-24(17-32-19-11-12-22-23(15-19)31-14-6-13-30-22)27-21-10-5-4-9-20(21)25(29)26-16-18-7-2-1-3-8-18/h1-5,7-12,15H,6,13-14,16-17H2,(H,26,29)(H,27,28)