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

Systemtic Name: N-butyl-2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]ethanamide Openeye Name: N-butyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetamide CAS Name: N-butyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetamide IUPAC Name: N-butyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]acetamide Traditional Name: N-butyl-2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]acetamide Formula: C16H22ClNO3S MolecularWeight: 343.86878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CCCCNC(=O)CSCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C16H22ClNO3S/c1-2-3-5-18-15(19)11-22-10-12-8-13(17)16-14(9-12)20-6-4-7-21-16/h8-9H,2-7,10-11H2,1H3,(H,18,19)