2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]thio]cinchoninamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C21H21N3O3S/c1-14-5-4-6-15(11-14)27-10-9-23-19(25)13-28-20-12-17(21(22)26)16-7-2-3-8-18(16)24-20/h2-8,11-12H,9-10,13H2,1H3,(H2,22,26)(H,23,25)