8-methoxy-4-[(2-methylsulfanylphenyl)amino]-N-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: 8-methoxy-4-[(2-methylsulfanylphenyl)amino]-N-prop-2-enyl-quinoline-3-carboxamide Openeye Name: N-allyl-8-methoxy-4-(2-methylsulfanylanilino)quinoline-3-carboxamide CAS Name: 8-methoxy-4-[2-(methylthio)anilino]-N-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 8-methoxy-4-(2-methylsulfanylanilino)-N-prop-2-enylquinoline-3-carboxamide Traditional Name: N-allyl-8-methoxy-4-[2-(methylthio)anilino]quinoline-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C(C(=CN=C21)C(=O)NCC=C)NC3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=CC2=C(C(=CN=C21)C(=O)NCC=C)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H21N3O2S/c1-4-12-22-21(25)15-13-23-20-14(8-7-10-17(20)26-2)19(15)24-16-9-5-6-11-18(16)27-3/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24)