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

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-phenoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-phenoxyphenyl)thio]-N-piperonyl-propionamide Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H24N2O5S/c1-17(28)27-22(25(29)26-14-18-7-12-23-24(13-18)31-16-30-23)15-33-21-10-8-20(9-11-21)32-19-5-3-2-4-6-19/h2-13,22H,14-16H2,1H3,(H,26,29)(H,27,28)/t22-/m1/s1