2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[4-(phenylmethylsulfanyl)butyl]propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[4-(phenylmethylsulfanyl)butyl]propanamide Openeye Name: 2-amino-N-(4-benzylsulfanylbutyl)-3-(4-hydroxy-2,6-dimethyl-phenyl)propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[4-(phenylmethylthio)butyl]propanamide IUPAC Name: 2-amino-N-(4-benzylsulfanylbutyl)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide Traditional Name: 2-amino-N-[4-(benzylthio)butyl]-3-(4-hydroxy-2,6-dimethyl-phenyl)propionamide Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NCCCCSCC2=CC=CC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NCCCCSCC2=CC=CC=C2)N)C)O

InChI

InChI=1S/C22H30N2O2S/c1-16-12-19(25)13-17(2)20(16)14-21(23)22(26)24-10-6-7-11-27-15-18-8-4-3-5-9-18/h3-5,8-9,12-13,21,25H,6-7,10-11,14-15,23H2,1-2H3,(H,24,26)