2-acetamido-3-(4-butylphenyl)sulfanyl-N-heptyl-propanamide

Systemtic Name: 2-acetamido-3-(4-butylphenyl)sulfanyl-N-heptyl-propanamide Openeye Name: 2-acetamido-3-(4-butylphenyl)sulfanyl-N-heptyl-propanamide CAS Name: 2-acetamido-3-[(4-butylphenyl)thio]-N-heptylpropanamide IUPAC Name: 2-acetamido-3-(4-butylphenyl)sulfanyl-N-heptylpropanamide Traditional Name: 2-acetamido-3-[(4-butylphenyl)thio]-N-heptyl-propionamide Formula: C22H36N2O2S MolecularWeight: 392.59844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O2S/c1-4-6-8-9-10-16-23-22(26)21(24-18(3)25)17-27-20-14-12-19(13-15-20)11-7-5-2/h12-15,21H,4-11,16-17H2,1-3H3,(H,23,26)(H,24,25)