N-cyclooctyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-cyclooctyl-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-cyclooctyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-cyclooctyl-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-cyclooctyl-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-cyclooctyl-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H32N2O3S MolecularWeight: 392.55538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCCCCCC1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NC1CCCCCCC1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O3S/c1-27-15-14-19(21(25)22-17-10-6-3-2-4-7-11-17)23-20(24)16-26-18-12-8-5-9-13-18/h5,8-9,12-13,17,19H,2-4,6-7,10-11,14-16H2,1H3,(H,22,25)(H,23,24)