2-acetamido-N-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanamide Openeye Name: 2-acetamido-N-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-propanamide CAS Name: 2-acetamido-N-methyl-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propanamide IUPAC Name: 2-acetamido-N-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanamide Traditional Name: 2-acetamido-N-methyl-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]propionamide Formula: C21H36N2O2S MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSCC(C(=O)NC)NC(=O)C)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CSCC(C(=O)NC)NC(=O)C)/C)/C)C

InChI

InChI=1S/C21H36N2O2S/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-15-20(21(25)22-6)23-19(5)24/h9,11,13,20H,7-8,10,12,14-15H2,1-6H3,(H,22,25)(H,23,24)/b17-11+,18-13+