N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-30-13-10-18(24-21(25)15-29-17-6-3-2-4-7-17)22(26)23-16-8-9-19-20(14-16)28-12-5-11-27-19/h2-4,6-9,14,18H,5,10-13,15H2,1H3,(H,23,26)(H,24,25)