N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H22N4OS/c1-16-13-21(17-7-3-2-4-8-17)27-23(26-16)29-15-22(28)24-12-11-18-14-25-20-10-6-5-9-19(18)20/h2-10,13-14,25H,11-12,15H2,1H3,(H,24,28)