2-acetamido-N-heptyl-3-(4-propan-2-ylphenyl)sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-heptyl-3-(4-propan-2-ylphenyl)sulfanyl-propanamide Openeye Name: 2-acetamido-N-heptyl-3-(4-isopropylphenyl)sulfanyl-propanamide CAS Name: 2-acetamido-N-heptyl-3-[(4-propan-2-ylphenyl)thio]propanamide IUPAC Name: 2-acetamido-N-heptyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide Traditional Name: 2-acetamido-N-heptyl-3-(p-cumenylthio)propionamide Formula: C21H34N2O2S MolecularWeight: 378.57186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O2S/c1-5-6-7-8-9-14-22-21(25)20(23-17(4)24)15-26-19-12-10-18(11-13-19)16(2)3/h10-13,16,20H,5-9,14-15H2,1-4H3,(H,22,25)(H,23,24)