N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(4-tert-butylphenoxy)butanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-4-(4-tert-butylphenoxy)butanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-4-(4-tert-butylphenoxy)butanamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-4-(4-tert-butylphenoxy)butanamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-tert-butylphenoxy)butanamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-4-(4-tert-butylphenoxy)butyramide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C22H28N2O3S/c1-22(2,3)16-10-12-17(13-11-16)27-14-6-9-21(26)24-18-7-4-5-8-19(18)28-15-20(23)25/h4-5,7-8,10-13H,6,9,14-15H2,1-3H3,(H2,23,25)(H,24,26)