(2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-quinolin-8-yl-butanamide

Systemtic Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-quinolin-8-yl-butanamide Openeye Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(8-quinolyl)butanamide CAS Name: (2S)-2-(phenethylamino)-N-(8-quinolinyl)-4-(1-sulfanylideneethylamino)butanamide IUPAC Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-quinolin-8-ylbutanamide Traditional Name: (2S)-2-(phenethylamino)-N-(8-quinolyl)-4-(thioacetylamino)butyramide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCC(C(=O)NC1=CC=CC2=C1N=CC=C2)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=S)NCC[C@@H](C(=O)NC1=CC=CC2=C1N=CC=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4OS/c1-17(29)24-16-13-21(25-15-12-18-7-3-2-4-8-18)23(28)27-20-11-5-9-19-10-6-14-26-22(19)20/h2-11,14,21,25H,12-13,15-16H2,1H3,(H,24,29)(H,27,28)/t21-/m0/s1