2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]thio]cinchoninamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)N

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)N

InChI

InChI=1S/C21H19N3O2S/c22-20(25)16-12-18(24-17-9-5-4-8-15(16)17)27-19(13-6-2-1-3-7-13)21(26)23-14-10-11-14/h1-9,12,14,19H,10-11H2,(H2,22,25)(H,23,26)/t19-/m0/s1