3-[butylcarbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[butylcarbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[butylcarbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[butylamino(sulfanylidene)methyl]-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[butylcarbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[butylthiocarbamoyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CCC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

Isomeric SMILES

CCCCNC(=S)N(CCC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

InChI=1S/C21H32N4O2S/c1-5-6-10-22-21(28)25(12-7-11-24(2)3)15-17-13-16-8-9-18(27-4)14-19(16)23-20(17)26/h8-9,13-14H,5-7,10-12,15H2,1-4H3,(H,22,28)(H,23,26)/p+1