4-tert-butyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]benzamide CAS Name: 4-tert-butyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]benzamide Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H25NO4S/c1-22(2,3)16-7-5-15(6-8-16)21(25)23-20(24)14-28-17-9-10-18-19(13-17)27-12-4-11-26-18/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,24,25)