2-acetamido-N-heptyl-3-phenylsulfanyl-propanamide

Systemtic Name: 2-acetamido-N-heptyl-3-phenylsulfanyl-propanamide Openeye Name: 2-acetamido-N-heptyl-3-phenylsulfanyl-propanamide CAS Name: 2-acetamido-N-heptyl-3-(phenylthio)propanamide IUPAC Name: 2-acetamido-N-heptyl-3-phenylsulfanylpropanamide Traditional Name: 2-acetamido-N-heptyl-3-(phenylthio)propionamide Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-3-4-5-6-10-13-19-18(22)17(20-15(2)21)14-23-16-11-8-7-9-12-16/h7-9,11-12,17H,3-6,10,13-14H2,1-2H3,(H,19,22)(H,20,21)