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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-chlorobenzyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NCC3=CC(=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NCC3=CC(=CC=C3)Cl)OC1

InChI

InChI=1S/C18H18ClNO3S/c19-14-4-1-3-13(9-14)11-20-18(21)12-24-15-5-6-16-17(10-15)23-8-2-7-22-16/h1,3-6,9-10H,2,7-8,11-12H2,(H,20,21)