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

Systemtic Name: N-cyclopropyl-2-[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S/c1-16(24(29)27(2)15-17-8-4-3-5-9-17)30-22-14-20(23(28)25-18-12-13-18)19-10-6-7-11-21(19)26-22/h3-11,14,16,18H,12-13,15H2,1-2H3,(H,25,28)