N-cyclopropyl-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-oxidanylidene-2-(pentan-3-ylamino)ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(1-ethylpropylamino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(1-ethylpropylamino)-2-keto-ethyl]thio]cinchoninamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3

InChI

InChI=1S/C20H25N3O2S/c1-3-13(4-2)21-18(24)12-26-19-11-16(20(25)22-14-9-10-14)15-7-5-6-8-17(15)23-19/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,21,24)(H,22,25)