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

Systemtic Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-ethoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-ethoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-p-phenetyl-acetamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O4S/c1-2-26-18-7-5-17(6-8-18)24(12-3-11-23)22(25)16-29-19-9-10-20-21(15-19)28-14-4-13-27-20/h5-10,15H,2-4,12-14,16H2,1H3