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

Systemtic Name: N-cyclopropyl-2-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: 2-[2-[benzyl(isopropyl)amino]-2-oxo-ethyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[2-[benzyl(isopropyl)amino]-2-keto-ethyl]thio]-N-cyclopropyl-cinchoninamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C25H27N3O2S/c1-17(2)28(15-18-8-4-3-5-9-18)24(29)16-31-23-14-21(25(30)26-19-12-13-19)20-10-6-7-11-22(20)27-23/h3-11,14,17,19H,12-13,15-16H2,1-2H3,(H,26,30)