N-cyclopropyl-2-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[(1S)-1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[(2S)-1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[(1S)-2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl]thio]cinchoninamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NOC(=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C20H20N4O3S/c1-11-9-17(27-24-11)23-19(25)12(2)28-18-10-15(20(26)21-13-7-8-13)14-5-3-4-6-16(14)22-18/h3-6,9-10,12-13H,7-8H2,1-2H3,(H,21,26)(H,23,25)/t12-/m0/s1