N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[N'-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethylimino-[(4,6-dimethyl-2-pyrimidinyl)amino]methyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)amidino]-2-(p-tolylthio)acetamide Formula: C26H27ClN6OS MolecularWeight: 507.05018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C26H27ClN6OS/c1-16-4-7-21(8-5-16)35-15-24(34)32-25(33-26-30-17(2)12-18(3)31-26)28-11-10-19-14-29-23-9-6-20(27)13-22(19)23/h4-9,12-14,29H,10-11,15H2,1-3H3,(H2,28,30,31,32,33,34)