2-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[2-(2-keto-7-methoxy-1H-quinolin-3-yl)ethylthiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NCCC1=CC2=C(C=C(C=C2)OC)NC1=O

Isomeric SMILES

C[NH+](C)CCNC(=S)NCCC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

InChI=1S/C17H24N4O2S/c1-21(2)9-8-19-17(24)18-7-6-13-10-12-4-5-14(23-3)11-15(12)20-16(13)22/h4-5,10-11H,6-9H2,1-3H3,(H,20,22)(H2,18,19,24)/p+1