diethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]propyl]azanium Openeye Name: diethyl-[3-[[3-hydroxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[3-hydroxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[3-hydroxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[3-hydroxypropyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]propyl]ammonium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)N(CCCO)CC1=CC2=C(C(=CC=C2)C)NC1=O

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)N(CCCO)CC1=CC2=C(C(=CC=C2)C)NC1=O

InChI

InChI=1S/C22H34N4O2S/c1-4-25(5-2)12-7-11-23-22(29)26(13-8-14-27)16-19-15-18-10-6-9-17(3)20(18)24-21(19)28/h6,9-10,15,27H,4-5,7-8,11-14,16H2,1-3H3,(H,23,29)(H,24,28)/p+1