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

Systemtic Name: N-cyclopropyl-2-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CC(C)CNC(=O)C(C)SC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C20H25N3O2S/c1-12(2)11-21-19(24)13(3)26-18-10-16(20(25)22-14-8-9-14)15-6-4-5-7-17(15)23-18/h4-7,10,12-14H,8-9,11H2,1-3H3,(H,21,24)(H,22,25)