2-[cyclohexylcarbamothioyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[cyclohexylcarbamothioyl-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[cyclohexylcarbamothioyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[cyclohexylcarbamothioyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[cyclohexylthiocarbamoyl-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NC3CCCCC3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=S)NC3CCCCC3

InChI

InChI=1S/C22H32N4O2S/c1-25(2)11-12-26(22(29)23-18-7-5-4-6-8-18)15-17-13-16-14-19(28-3)9-10-20(16)24-21(17)27/h9-10,13-14,18H,4-8,11-12,15H2,1-3H3,(H,23,29)(H,24,27)/p+1