2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetamide Traditional Name: N-benzyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetamide Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3S/c20-16-9-15(10-17-19(16)24-8-4-7-23-17)12-25-13-18(22)21-11-14-5-2-1-3-6-14/h1-3,5-6,9-10H,4,7-8,11-13H2,(H,21,22)