N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(tetrahydrofuran-2-ylmethylsulfanyl)benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-oxolanylmethylthio)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(tetrahydrofurfurylthio)benzamide Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3SCC4CCCO4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CC=C3SCC4CCCO4

InChI

InChI=1S/C23H27NO4S/c1-16(17-9-10-20-21(14-17)28-13-5-12-27-20)24-23(25)19-7-2-3-8-22(19)29-15-18-6-4-11-26-18/h2-3,7-10,14,16,18H,4-6,11-13,15H2,1H3,(H,24,25)