3-[[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[3-hydroxypropyl-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCO)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCO)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C21H32N4O2S/c1-15-7-8-16(2)19-18(15)13-17(20(27)23-19)14-25(11-6-12-26)21(28)22-9-5-10-24(3)4/h7-8,13,26H,5-6,9-12,14H2,1-4H3,(H,22,28)(H,23,27)/p+1