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

Systemtic Name: 3-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(3-methoxypropylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-methoxypropylcarbamothioyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(3-methoxypropylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCOC

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NCCCOC

InChI

InChI=1S/C21H32N4O3S/c1-24(2)10-6-11-25(21(29)22-9-5-12-27-3)15-17-13-16-7-8-18(28-4)14-19(16)23-20(17)26/h7-8,13-14H,5-6,9-12,15H2,1-4H3,(H,22,29)(H,23,26)/p+1