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

Systemtic Name: N-cyclopropyl-2-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-(2-methylanilino)-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-1-methyl-2-(o-toluidino)ethyl]thio]cinchoninamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H23N3O2S/c1-14-7-3-5-9-19(14)26-22(27)15(2)29-21-13-18(23(28)24-16-11-12-16)17-8-4-6-10-20(17)25-21/h3-10,13,15-16H,11-12H2,1-2H3,(H,24,28)(H,26,27)