N-(2-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(2-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(2-tert-butylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)16-7-4-5-8-17(16)22-20(23)14-26-15-9-10-18-19(13-15)25-12-6-11-24-18/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,22,23)