2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N,N-dibenzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C25H25NO3S/c27-25(19-30-22-12-13-23-24(16-22)29-15-7-14-28-23)26(17-20-8-3-1-4-9-20)18-21-10-5-2-6-11-21/h1-6,8-13,16H,7,14-15,17-19H2