2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-N-quinolin-5-yl-propanamide Openeye Name: 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-N-(5-quinolyl)propanamide CAS Name: 2-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]-N-(5-quinolyl)propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)N(C)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)N(C)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H24N4O2S/c1-15(22(28)25-18-11-6-10-17-16(18)8-7-13-23-17)26(2)14-21(27)24-19-9-4-5-12-20(19)29-3/h4-13,15H,14H2,1-3H3,(H,24,27)(H,25,28)