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

Systemtic Name: 3-[[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-thienylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(2-thenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H29N4O2S2+ MolecularWeight: 445.62126

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=CS1)CC2=CC3=C(C=C(C=C3)OC)NC2=O

InChI

InChI=1S/C22H28N4O2S2/c1-25(2)10-5-9-23-22(29)26(15-19-6-4-11-30-19)14-17-12-16-7-8-18(28-3)13-20(16)24-21(17)27/h4,6-8,11-13H,5,9-10,14-15H2,1-3H3,(H,23,29)(H,24,27)/p+1