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

Systemtic Name: 2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: 2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-N-heptyl-propanamide CAS Name: 2-acetamido-N-heptyl-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: 2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: 2-acetamido-3-[(4-benzoxyphenyl)thio]-N-heptyl-propionamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCCCCCCNC(=O)C(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C25H34N2O3S/c1-3-4-5-6-10-17-26-25(29)24(27-20(2)28)19-31-23-15-13-22(14-16-23)30-18-21-11-8-7-9-12-21/h7-9,11-16,24H,3-6,10,17-19H2,1-2H3,(H,26,29)(H,27,28)