N-cyclopropyl-2-[1-[ethyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[1-[ethyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[2-[benzyl(ethyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-[ethyl-(phenylmethyl)amino]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[benzyl(ethyl)amino]-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

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