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

Systemtic Name: 2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-N-heptyl-propanamide Openeye Name: 2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-N-heptyl-propanamide CAS Name: 2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-N-heptylpropanamide IUPAC Name: 2-acetamido-3-(3-chloro-4-methylphenyl)sulfanyl-N-heptylpropanamide Traditional Name: 2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]-N-heptyl-propionamide Formula: C19H29ClN2O2S MolecularWeight: 384.96376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O2S/c1-4-5-6-7-8-11-21-19(24)18(22-15(3)23)13-25-16-10-9-14(2)17(20)12-16/h9-10,12,18H,4-8,11,13H2,1-3H3,(H,21,24)(H,22,23)