(E)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-quinolin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-quinolin-2-yl-prop-2-enamide Openeye Name: (E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-3-(2-quinolyl)prop-2-enamide CAS Name: (E)-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-(2-quinolinyl)-2-propenamide IUPAC Name: (E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-quinolin-2-ylprop-2-enamide Traditional Name: (E)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-3-(2-quinolyl)acrylamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21N3O2S/c1-25(15-21(26)24-19-9-5-6-10-20(19)28-2)22(27)14-13-17-12-11-16-7-3-4-8-18(16)23-17/h3-14H,15H2,1-2H3,(H,24,26)/b14-13+