3-[[2-[(3-methylsulfanylphenyl)amino]quinolin-4-yl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[[2-[(3-methylsulfanylphenyl)amino]quinolin-4-yl]carbonylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[3-[[2-(3-methylsulfanylanilino)quinoline-4-carbonyl]amino]propyl]ammonium CAS Name: 3-[[[2-[3-(methylthio)anilino]-4-quinolinyl]-oxomethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[2-(3-methylsulfanylanilino)quinoline-4-carbonyl]amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[3-[[2-[3-(methylthio)anilino]quinoline-4-carbonyl]amino]propyl]ammonium Formula: C30H35N4OS+ MolecularWeight: 499.6901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](CCCNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C30H34N4OS/c1-22(2)34(21-23-11-5-4-6-12-23)18-10-17-31-30(35)27-20-29(33-28-16-8-7-15-26(27)28)32-24-13-9-14-25(19-24)36-3/h4-9,11-16,19-20,22H,10,17-18,21H2,1-3H3,(H,31,35)(H,32,33)/p+1