N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl]thio]cinchoninamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C

InChI

InChI=1S/C25H27N3O2S/c1-15-8-9-18(12-16(15)2)17(3)26-23(29)14-31-24-13-21(25(30)27-19-10-11-19)20-6-4-5-7-22(20)28-24/h4-9,12-13,17,19H,10-11,14H2,1-3H3,(H,26,29)(H,27,30)