2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-[[(1R)-1-phenylethyl]thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C25H33N4OS+ MolecularWeight: 437.62072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)NC(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+](C)C)C(=S)N[C@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H32N4OS/c1-17-13-21-15-22(24(30)27-23(21)14-18(17)2)16-29(12-11-28(4)5)25(31)26-19(3)20-9-7-6-8-10-20/h6-10,13-15,19H,11-12,16H2,1-5H3,(H,26,31)(H,27,30)/p+1/t19-/m1/s1