2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[1-(3,4-dimethylphenyl)ethyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C21H25NO3S/c1-14-5-6-17(11-15(14)2)16(3)22-21(23)13-26-18-7-8-19-20(12-18)25-10-4-9-24-19/h5-8,11-12,16H,4,9-10,13H2,1-3H3,(H,22,23)