dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-thienylmethyl)carbamothioyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]propyl]azanium Traditional Name: 3-[[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-(2-thenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C22H29N4OS2+ MolecularWeight: 429.62186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C22H28N4OS2/c1-16-7-8-20-17(12-16)13-18(21(27)24-20)14-26(15-19-6-4-11-29-19)22(28)23-9-5-10-25(2)3/h4,6-8,11-13H,5,9-10,14-15H2,1-3H3,(H,23,28)(H,24,27)/p+1