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

Systemtic Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-butan-2-yl]amino]-sulfanylidenemethyl]-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-butan-2-yl]carbamothioyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-[[(1S)-1-methylpropyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=S)N(CCC[NH+](C)C)CC1=CC2=C(C=C(C=C2)OC)NC1=O

InChI

InChI=1S/C21H32N4O2S/c1-6-15(2)22-21(28)25(11-7-10-24(3)4)14-17-12-16-8-9-18(27-5)13-19(16)23-20(17)26/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3,(H,22,28)(H,23,26)/p+1/t15-/m0/s1