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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

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