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

Systemtic Name: N-(3-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(3-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(3-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(3-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-cyanophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C#N)OC1

InChI

InChI=1S/C18H16N2O3S/c19-11-13-3-1-4-14(9-13)20-18(21)12-24-15-5-6-16-17(10-15)23-8-2-7-22-16/h1,3-6,9-10H,2,7-8,12H2,(H,20,21)