N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2,4,6-trimethylphenyl)thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(mesitylthio)acetamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C20H23NO3S/c1-13-9-14(2)20(15(3)10-13)25-12-19(22)21-16-5-6-17-18(11-16)24-8-4-7-23-17/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,21,22)