(2R)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: (2R)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: (2R)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(3-morpholinopropyl)propanamide CAS Name: (2R)-2-acetamido-3-[(4-butylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: (2R)-2-acetamido-3-(4-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: (2R)-2-acetamido-3-[(4-butylphenyl)thio]-N-(3-morpholinopropyl)propionamide Formula: C22H35N3O3S MolecularWeight: 421.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)NCCCN2CCOCC2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@@H](C(=O)NCCCN2CCOCC2)NC(=O)C

InChI

InChI=1S/C22H35N3O3S/c1-3-4-6-19-7-9-20(10-8-19)29-17-21(24-18(2)26)22(27)23-11-5-12-25-13-15-28-16-14-25/h7-10,21H,3-6,11-17H2,1-2H3,(H,23,27)(H,24,26)/t21-/m0/s1