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

Systemtic Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-(3-chloro-4-methyl-phenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-[(3-chloro-4-methylphenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-(3-chloro-4-methylphenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-[(3-chloro-4-methyl-phenyl)thio]propionamide Formula: C19H29ClN2O3S MolecularWeight: 400.96316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O3S/c1-4-5-10-25-11-6-9-21-19(24)18(22-15(3)23)13-26-16-8-7-14(2)17(20)12-16/h7-8,12,18H,4-6,9-11,13H2,1-3H3,(H,21,24)(H,22,23)/t18-/m0/s1