2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[phenyl(thiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[phenyl(thiophen-2-yl)methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[phenyl(2-thienyl)methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[phenyl(thiophen-2-yl)methyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[phenyl(thiophen-2-yl)methyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[phenyl(2-thienyl)methyl]acetamide Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4)OC1

InChI

InChI=1S/C22H21NO3S2/c24-21(15-28-17-9-10-18-19(14-17)26-12-5-11-25-18)23-22(20-8-4-13-27-20)16-6-2-1-3-7-16/h1-4,6-10,13-14,22H,5,11-12,15H2,(H,23,24)