N-[2-[1-[(2,5-dimethylphenyl)methyl]-5-methyl-indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-5-methyl-indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-5-methyl-indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-5-methyl-3-indolyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-5-methylindol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[1-(2,5-dimethylbenzyl)-5-methyl-indol-3-yl]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=C2C=CC(=C3)C)CCNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=C2C=CC(=C3)C)CCNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C26H28N4OS/c1-18-5-7-20(3)22(13-18)16-30-15-21(23-14-19(2)6-8-24(23)30)9-12-27-25(31)17-32-26-28-10-4-11-29-26/h4-8,10-11,13-15H,9,12,16-17H2,1-3H3,(H,27,31)