2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-propyl-ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-propyl-ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-propyl-acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-propylacetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-propylacetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-propyl-acetamide Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCCNC(=O)CSC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H19NO3S/c1-2-6-15-14(16)10-19-11-4-5-12-13(9-11)18-8-3-7-17-12/h4-5,9H,2-3,6-8,10H2,1H3,(H,15,16)