(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylmethoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzyloxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-phenylmethoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenylmethoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-benzoxyphenyl)thio]-N-piperonyl-propionamide Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H26N2O5S/c1-18(29)28-23(26(30)27-14-20-7-12-24-25(13-20)33-17-32-24)16-34-22-10-8-21(9-11-22)31-15-19-5-3-2-4-6-19/h2-13,23H,14-17H2,1H3,(H,27,30)(H,28,29)/t23-/m1/s1