2-[methyl-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[methyl-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[methyl-[2-oxo-2-(5-quinolylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[methyl-[2-oxo-2-(5-quinolinylamino)ethyl]amino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[methyl-[2-oxo-2-(quinolin-5-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(5-quinolylamino)ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)CC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C21H22N4O2S/c1-25(14-21(27)24-18-8-3-4-11-19(18)28-2)13-20(26)23-17-10-5-9-16-15(17)7-6-12-22-16/h3-12H,13-14H2,1-2H3,(H,23,26)(H,24,27)