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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

InChI

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