N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[(2,5-dimethoxyphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-[(2,5-dimethoxyphenyl)thio]nicotinamide Formula: C25H24N4O4S MolecularWeight: 476.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C25H24N4O4S/c1-32-16-9-10-21(33-2)22(13-16)34-25-18(7-5-11-27-25)24(31)29-20(23(26)30)12-15-14-28-19-8-4-3-6-17(15)19/h3-11,13-14,20,28H,12H2,1-2H3,(H2,26,30)(H,29,31)/t20-/m0/s1