2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2,6-dimethylphenyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2,6-dimethylphenyl)propionamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23NO3S/c1-13-6-4-7-14(2)19(13)21-20(22)15(3)25-16-8-9-17-18(12-16)24-11-5-10-23-17/h4,6-9,12,15H,5,10-11H2,1-3H3,(H,21,22)