(2R)-2-acetamido-N-butyl-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-ethyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-butyl-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-ethyl-propanamide Openeye Name: (2R)-2-acetamido-N-butyl-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-ethyl-propanamide CAS Name: (2R)-2-acetamido-N-butyl-3-[(3-chloro-4-methylphenyl)thio]-N-ethylpropanamide IUPAC Name: (2R)-2-acetamido-N-butyl-3-(3-chloro-4-methylphenyl)sulfanyl-N-ethylpropanamide Traditional Name: (2R)-2-acetamido-N-butyl-3-[(3-chloro-4-methyl-phenyl)thio]-N-ethyl-propionamide Formula: C18H27ClN2O2S MolecularWeight: 370.93718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C(CSC1=CC(=C(C=C1)C)Cl)NC(=O)C

Isomeric SMILES

CCCCN(CC)C(=O)[C@H](CSC1=CC(=C(C=C1)C)Cl)NC(=O)C

InChI

InChI=1S/C18H27ClN2O2S/c1-5-7-10-21(6-2)18(23)17(20-14(4)22)12-24-15-9-8-13(3)16(19)11-15/h8-9,11,17H,5-7,10,12H2,1-4H3,(H,20,22)/t17-/m0/s1