N-[4-(phenoxymethyl)phenyl]-6-(2-sulfanylethanoylamino)hexanamide

Systemtic Name: N-[4-(phenoxymethyl)phenyl]-6-(2-sulfanylethanoylamino)hexanamide Openeye Name: N-[4-(phenoxymethyl)phenyl]-6-[(2-sulfanylacetyl)amino]hexanamide CAS Name: 6-[(2-mercapto-1-oxoethyl)amino]-N-[4-(phenoxymethyl)phenyl]hexanamide IUPAC Name: N-[4-(phenoxymethyl)phenyl]-6-[(2-sulfanylacetyl)amino]hexanamide Traditional Name: 6-[(2-mercaptoacetyl)amino]-N-[4-(phenoxymethyl)phenyl]hexanamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC=C(C=C2)NC(=O)CCCCCNC(=O)CS

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC=C(C=C2)NC(=O)CCCCCNC(=O)CS

InChI

InChI=1S/C21H26N2O3S/c24-20(9-5-2-6-14-22-21(25)16-27)23-18-12-10-17(11-13-18)15-26-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,27H,2,5-6,9,14-16H2,(H,22,25)(H,23,24)