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

Systemtic Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-phenyl-acetamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c21-10-4-11-22(16-6-2-1-3-7-16)20(23)15-26-17-8-9-18-19(14-17)25-13-5-12-24-18/h1-3,6-9,14H,4-5,11-13,15H2