3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanyl-N-phenethyl-propanamide

Systemtic Name: 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]sulfanyl-N-phenethyl-propanamide Openeye Name: 3-(1H-indol-3-yl)-2-[1-(1H-indol-3-ylmethyl)-2-oxo-2-(phenethylamino)ethyl]sulfanyl-N-phenethyl-propanamide CAS Name: 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-1-oxo-1-(phenethylamino)propan-2-yl]thio]-N-phenethylpropanamide IUPAC Name: 3-(1H-indol-3-yl)-2-[3-(1H-indol-3-yl)-1-oxo-1-(phenethylamino)propan-2-yl]sulfanyl-N-phenethylpropanamide Traditional Name: 3-(1H-indol-3-yl)-2-[[1-(1H-indol-3-ylmethyl)-2-keto-2-(phenethylamino)ethyl]thio]-N-phenethyl-propionamide Formula: C38H38N4O2S MolecularWeight: 614.79892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC2=CNC3=CC=CC=C32)SC(CC4=CNC5=CC=CC=C54)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(CC2=CNC3=CC=CC=C32)SC(CC4=CNC5=CC=CC=C54)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C38H38N4O2S/c43-37(39-21-19-27-11-3-1-4-12-27)35(23-29-25-41-33-17-9-7-15-31(29)33)45-36(24-30-26-42-34-18-10-8-16-32(30)34)38(44)40-22-20-28-13-5-2-6-14-28/h1-18,25-26,35-36,41-42H,19-24H2,(H,39,43)(H,40,44)