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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C23H23N3O2S/c1-15(22(27)24-14-16-7-3-2-4-8-16)29-21-13-19(23(28)25-17-11-12-17)18-9-5-6-10-20(18)26-21/h2-10,13,15,17H,11-12,14H2,1H3,(H,24,27)(H,25,28)