(2S)-2-azanyl-N-(6,11-dimethylindolo[2,3-b]quinolin-9-yl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-(6,11-dimethylindolo[2,3-b]quinolin-9-yl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-(6,11-dimethylindolo[2,3-b]quinolin-9-yl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-(6,11-dimethyl-9-indolo[2,3-b]quinolinyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-(6,11-dimethylindolo[2,3-b]quinolin-9-yl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-(6,11-dimethylquinindolin-9-yl)-4-(methylthio)butyramide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=C(C=CC(=C3)NC(=O)C(CCSC)N)N(C2=NC4=CC=CC=C14)C

Isomeric SMILES

CC1=C2C3=C(C=CC(=C3)NC(=O)[C@H](CCSC)N)N(C2=NC4=CC=CC=C14)C

InChI

InChI=1S/C22H24N4OS/c1-13-15-6-4-5-7-18(15)25-21-20(13)16-12-14(8-9-19(16)26(21)2)24-22(27)17(23)10-11-28-3/h4-9,12,17H,10-11,23H2,1-3H3,(H,24,27)/t17-/m0/s1