N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-pyrimidylthio)acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NC=CC=N2)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CSC2=NC=CC=N2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H22N4O2S/c1-29-17-9-7-16(8-10-17)19(20-14-26-21-6-3-2-5-18(20)21)13-27-22(28)15-30-23-24-11-4-12-25-23/h2-12,14,19,26H,13,15H2,1H3,(H,27,28)/t19-/m0/s1