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

Systemtic Name: N-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]phenyl]acetamide CAS Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]phenyl]acetamide IUPAC Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]phenyl]acetamide Traditional Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]phenyl]acetamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H18ClNO3S/c1-12(21)20-14-3-5-15(6-4-14)24-11-13-9-16(19)18-17(10-13)22-7-2-8-23-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,21)