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

Systemtic Name: N-cyclopropyl-2-[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]cinchoninamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C21H21N3O3S/c1-13(20(25)22-12-15-5-4-10-27-15)28-19-11-17(21(26)23-14-8-9-14)16-6-2-3-7-18(16)24-19/h2-7,10-11,13-14H,8-9,12H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1