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

Systemtic Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-2-methyl-indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-2-methyl-indol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-2-methyl-3-indolyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-[1-[(2,5-dimethylphenyl)methyl]-2-methylindol-3-yl]ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[1-(2,5-dimethylbenzyl)-2-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=CC=CC=C32)CCNC(=O)CSC4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=C(C3=CC=CC=C32)CCNC(=O)CSC4=NC=CC=N4)C

InChI

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